has part
type: ObjectProperty
type: TransitiveProperty
has db xref: BFO:0000051
has OBO namespace: chebi_ontology
is cyclic: false
shorthand: has_part
id: has_part

electron
type: Class
subclass of: lepton
charge: -1
mass: 0.000548579903
id: CHEBI:10545
IAO_0000115: Elementary particle not affected by the strong force having a spin 1/2, a negative elementary charge and a rest mass of 0.000548579903(13) u, or 0.51099906(15) MeV.
has db xref: KEGG:C05359
has db xref: PMID:21614077
smiles: [*-]
has related synonym: beta
has related synonym: beta(-)
has related synonym: beta-particle
has OBO namespace: chebi_ontology
has related synonym: e
has related synonym: e(-)
has related synonym: e-
has exact synonym: electron
has related synonym: negatron
in subset: 3 STAR

2-hydroxyglutarate(2-)
type: Class
subclass of: 2-hydroxyglutarate
subclass of: dicarboxylic acid dianion
charge: -2
monoisotopicmass: 146.022
mass: 146.09814
has related synonym: 2-hydroxyglutarate
has exact synonym: 2-hydroxypentanedioate
IAO_0000115: A dicarboxylic acid dianion resulting from the removal of a proton from both of the carboxylic acid groups of 2-hydroxyglutaric acid.
has db xref: Beilstein:5736650
formula: C5H6O5
id: CHEBI:11596
inchikey: HWXBTNAVRSUOJR-UHFFFAOYSA-L
inchi: InChI=1S/C5H8O5/c6-3(5(9)10)1-2-4(7)8/h3,6H,1-2H2,(H,7,8)(H,9,10)/p-2
has db xref: MetaCyc:2-HYDROXYGLUTARIC_ACID
smiles: OC(CCC([O-])=O)C([O-])=O
has db xref: Reaxys:5736650
has OBO namespace: chebi_ontology
in subset: 3 STAR

4-amino-3-hydroxybutanoate
type: Class
subclass of: hydroxy monocarboxylic acid anion
subclass of: gamma-amino acid anion
charge: -1
monoisotopicmass: 118.050
mass: 118.11126
has exact synonym: 4-Amino-3-hydroxybutanoate
formula: C4H8NO3
has db xref: CAS:352-21-6
id: CHEBI:11955
inchi: InChI=1S/C4H9NO3/c5-2-3(6)1-4(7)8/h3,6H,1-2,5H2,(H,7,8)/p-1
has db xref: KEGG:C03678
smiles: NCC(O)CC([O-])=O
IAO_0000115: The conjugate base of gamma-amino-beta-hydroxybutyric acid arising from deprotonation of the carboxy group.
inchikey: YQGDEPYYFWUPGO-UHFFFAOYSA-M
has OBO namespace: chebi_ontology
in subset: 3 STAR

5-aminolevulinate
type: Class
subclass of: monocarboxylic acid anion
charge: -1
monoisotopicmass: 130.050
mass: 130.12196
has exact synonym: 5-amino-4-oxopentanoate
has db xref: Beilstein:3937762
formula: C5H8NO3
id: CHEBI:12109
inchi: InChI=1S/C5H9NO3/c6-3-4(7)1-2-5(8)9/h1-3,6H2,(H,8,9)/p-1
smiles: NCC(=O)CCC([O-])=O
inchikey: ZGXJTSGNIOSYLO-UHFFFAOYSA-M
has OBO namespace: chebi_ontology
in subset: 3 STAR

vitamin A
type: Class
subclass of: retinoid
subclass of: Restriction
  on property: has part
  some values from: all-trans-retinoic acid
subclass of: Restriction
  on property: has part
  some values from: all-trans-retinyl ester
subclass of: Restriction
  on property: has part
  some values from: all-trans-retinol
subclass of: Restriction
  on property: has part
  some values from: all-trans-retinal
IAO_0000115: A group of fat-soluble retinoids produced via metabolism of provitamin A carotenoids. Vitamin A is involved in immune function, vision, reproduction, and cellular communication.
id: CHEBI:12777
has db xref: Wikipedia:Vitamin_A
has OBO namespace: chebi_ontology
in subset: 3 STAR

steroid aldehyde
type: Class
subclass of: aldehyde
subclass of: steroid
IAO_0000115: Any steroid substituted by a formyl group.
id: CHEBI:131565
has OBO namespace: chebi_ontology
has related synonym: steroid aldehydes
in subset: 3 STAR

Mycoplasma genitalium metabolite
type: Class
subclass of: bacterial metabolite
IAO_0000115: Any bacterial metabolite produced during a metabolic reaction in Mycoplasma genitalium.
id: CHEBI:131604
has related synonym: Mycoplasma genitalium metabolites
has OBO namespace: chebi_ontology
in subset: 3 STAR

C27-steroid
type: Class
subclass of: steroid
IAO_0000115: A steroid compound with a structure based on a 27-carbon (cholestane) skeleton.
has related synonym: C27-steroids
id: CHEBI:131619
has OBO namespace: chebi_ontology
in subset: 3 STAR

C19-steroid
type: Class
subclass of: steroid
IAO_0000115: A steroid compound with a structure based on a 19-carbon (androstane) skeleton.
has related synonym: C19-steroids
id: CHEBI:131621
has OBO namespace: chebi_ontology
in subset: 3 STAR

dicarboxylic acids and O-substituted derivatives
type: Class
subclass of: carbonyl compound
IAO_0000115: A class of carbonyl compound encompassing dicarboxylic acids and any derivatives obtained by substitution of either one or both of the carboxy hydrogens.
id: CHEBI:131927
has OBO namespace: chebi_ontology
has related synonym: dicarboxylic acids and derivatives
in subset: 3 STAR

1,4-naphthoquinones
type: Class
subclass of: naphthoquinone
subclass of: p-quinones
IAO_0000115: A naphthoquinone in which the oxo groups of the quinone moiety are at positions 1 and 4 of the parent naphthalene ring.
id: CHEBI:132142
has OBO namespace: chebi_ontology
in subset: 3 STAR

hyaluronate
type: Class
subclass of: polyanionic polymer
subclass of: carbohydrate acid derivative anion
formula: (C14H20NO11)n.H2O
charge: -1
mass: 0.0
monoisotopicmass: 0.0
IAO_0000115: A carbohydrate acid derivative anion obtained by deprotonation of the carboxy groups of hyaluronic acid; major species at pH 7.3.
id: CHEBI:132153
has OBO namespace: chebi_ontology
has related synonym: hyaluronan
has related synonym: hyaluronate polyanion
in subset: 3 STAR

citrate(4-)
type: Class
subclass of: citrate anion
charge: -4
monoisotopicmass: 187.996
mass: 188.092
has related synonym: 2-oxido-1,2,3-propanetricarboxylate
has exact synonym: 2-oxidopropane-1,2,3-tricarboxylate
IAO_0000115: A citrate anion obtained by deprotonation of the three carboxy groups as well as the hydroxy group of citric acid.
smiles: C(=O)([O-])C(CC(=O)[O-])(CC(=O)[O-])[O-]
formula: C6H4O7
id: CHEBI:132362
has db xref: Chemspider:34552020
inchi: InChI=1S/C6H7O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h1-2H2,(H,7,8)(H,9,10)(H,11,12)/q-1/p-3
inchikey: KSXLKRAZYZIYCZ-UHFFFAOYSA-K
has OBO namespace: chebi_ontology
has related synonym: citric acid tetraanion
in subset: 3 STAR

bleaching agent
type: Class
subclass of: reagent
IAO_0000115: A reagent that lightens or whitens a substrate through chemical reaction. Bleaching reactions usually involve oxidative or reductive processes that degrade colour systems. Bleaching can occur by destroying one or more of the double bonds in the conjugated chain, by cleaving the conjugated chain, or by oxidation of one of the other moieties in the conjugated chain. Their reactivity results in many bleaches having strong bactericidal, disinfecting, and sterilising properties.
id: CHEBI:132717
has db xref: Wikipedia:Bleach
has OBO namespace: chebi_ontology
in subset: 3 STAR

ethylmalonate
type: Class
subclass of: dicarboxylic acid anion
IAO_0000115: A dicarboxylic acid anion obtained by deprotonation of at least one of the carboxy groups of ethylmalonic acid.
id: CHEBI:132938
has OBO namespace: chebi_ontology
has related synonym: ethylmalonate anion
has related synonym: ethylmalonic acid anion
in subset: 3 STAR

ethylmalonate(2-)
type: Class
subclass of: ethylmalonate
subclass of: dicarboxylic acid dianion
charge: -2
monoisotopicmass: 130.027
mass: 130.099
IAO_0000115: A dicarboxylic acid dianion resulting from the removal of a proton from both of the carboxylic acid groups of ethylmalonic acid.
formula: C5H6O4
id: CHEBI:132939
inchi: InChI=1S/C5H8O4/c1-2-3(4(6)7)5(8)9/h3H,2H2,1H3,(H,6,7)(H,8,9)/p-2
has db xref: Reaxys:3904851
inchikey: UKFXDFUAPNAMPJ-UHFFFAOYSA-L
smiles: [O-]C(C(C(=O)[O-])CC)=O
has OBO namespace: chebi_ontology
has exact synonym: ethylpropanedioate
in subset: 3 STAR

2-hydroxyglutarate
type: Class
subclass of: dicarboxylic acid anion
has related synonym: 2-hydroxyglutarate anion
has related synonym: 2-hydroxyglutaric acid anion
IAO_0000115: A dicarboxylic acid anion obtained by deprotonation of at least one of the carboxy groups of 2-hydroxyglutaric acid.
id: CHEBI:132941
has OBO namespace: chebi_ontology
in subset: 3 STAR

oxalate
type: Class
subclass of: dicarboxylic acid anion
IAO_0000115: A dicarboxylic acid anion obtained by deprotonation of at least one of the carboxy groups of oxalic acid.
id: CHEBI:132952
has OBO namespace: chebi_ontology
has related synonym: ethanedioic acid anion
has related synonym: ethanedioic acid anions
has related synonym: oxalate anion
has related synonym: oxalate anions
has related synonym: oxalates
has related synonym: oxalic acid anion
has related synonym: oxalic acid anions
in subset: 3 STAR

methylsuccinate
type: Class
subclass of: dicarboxylic acid anion
has related synonym: 2-methylbutanedioic acid anion
has related synonym: 2-methylbutanedioic acid anions
IAO_0000115: A dicarboxylic acid anion obtained by deprotonation of at least one of the carboxy groups of 3-methylsuccinic acid.
id: CHEBI:132961
has OBO namespace: chebi_ontology
has related synonym: methylsuccinate anion
has related synonym: methylsuccinates
has related synonym: methylsuccinic acid anion
has related synonym: methylsuccinic acid anions
in subset: 3 STAR

hippurate
type: Class
subclass of: N-acylglycinate
IAO_0000115: An N-acylglycinate obtained by deprotonation of the carboxy group of hippuric acid (N-benzoylglycine) and its derivatives.
id: CHEBI:132966
has related synonym: N-benzoylglycinate
has related synonym: N-benzoylglycinates
has related synonym: N-benzoylglycine anion
has related synonym: N-benzoylglycine anions
has OBO namespace: chebi_ontology
has related synonym: hippurates
in subset: 3 STAR

5-ammoniolevulinic acid
type: Class
subclass of: primary ammonium ion
charge: +1
monoisotopicmass: 132.066
mass: 132.138
has exact synonym: 4-carboxy-2-oxobutan-1-aminium
has related synonym: 5-aminolevulinic acid cation
has related synonym: 5-aminolevulinic acid(1+)
IAO_0000115: A primary ammonium ion obtained by protonation of the amino group of 5-aminolevulinic acid.
smiles: C(C(=O)C[NH3+])CC(=O)O
formula: C5H10NO3
id: CHEBI:132970
inchi: InChI=1S/C5H9NO3/c6-3-4(7)1-2-5(8)9/h1-3,6H2,(H,8,9)/p+1
inchikey: ZGXJTSGNIOSYLO-UHFFFAOYSA-O
has OBO namespace: chebi_ontology
in subset: 3 STAR

bradykinin(2+)
type: Class
subclass of: peptide zwitterion
charge: +2
has exact synonym: 1-[(2S)-2-azaniumyl-5-carbamimidamidopentanoyl]-L-prolyl-L-prolylglycyl-L-phenylalanyl-L-seryl-L-prolyl-N-[(1S)-4-carbamimidamido-1-carboxylatobutyl]-L-phenylalaninamide
monoisotopicmass: 1061.577
mass: 1062.226
IAO_0000115: A peptide cation obtained by deprotonation of the carboxy group and protonation of the amino and guanidino groups of bradykinin; major species at pH 7.3.
formula: C50H75N15O11
id: CHEBI:132988
inchi: InChI=1S/C50H73N15O11/c51-32(16-7-21-56-49(52)53)45(72)65-25-11-20-39(65)47(74)64-24-9-18-37(64)43(70)58-28-40(67)59-34(26-30-12-3-1-4-13-30)41(68)62-36(29-66)46(73)63-23-10-19-38(63)44(71)61-35(27-31-14-5-2-6-15-31)42(69)60-33(48(75)76)17-8-22-57-50(54)55/h1-6,12-15,32-39,66H,7-11,16-29,51H2,(H,58,70)(H,59,67)(H,60,69)(H,61,71)(H,62,68)(H,75,76)(H4,52,53,56)(H4,54,55,57)/p+2/t32-,33-,34-,35-,36-,37-,38-,39-/m0/s1
inchikey: QXZGBUJJYSLZLT-FDISYFBBSA-P
has OBO namespace: chebi_ontology
in subset: 3 STAR

radiosensitizing agent
type: Class
subclass of: drug
IAO_0000115: A drug that makes increases the sensitivity of tumour cells to radiation therapy.
id: CHEBI:132992
has db xref: PMID:12520460
has db xref: Wikipedia:Radiosensitizer
has OBO namespace: chebi_ontology
has related synonym: radiosensitiser
has related synonym: radiosensitisers
has related synonym: radiosensitising agent
has related synonym: radiosensitising agents
has related synonym: radiosensitizer
has related synonym: radiosensitizers
has related synonym: radiosensitizing agents
in subset: 3 STAR

3-hydroxydicarboxylate(2-)
type: Class
subclass of: dicarboxylic acid dianion
charge: -2
monoisotopicmass: 132.006
mass: 132.072
has related synonym: 3-hydroxydicarboxylic acid dianion(2-)
IAO_0000115: A dicarboxylic acid dianion that results from the removal of a proton from both of the carboxylic acid groups of any 3-hydroxydicarboxylic acid.
smiles: C(*C(CC(=O)[O-])O)([O-])=O
formula: C4H4O5R
id: CHEBI:133251
has related synonym: a 3-hydroxy dicarboxylic acid
has OBO namespace: chebi_ontology
in subset: 3 STAR

saturated dicarboxylic acid dianion(2-)
type: Class
subclass of: dicarboxylic acid dianion
charge: -2
monoisotopicmass: 87.980
mass: 88.019
IAO_0000115: A carboxylic acid dianion obtained by deprotonation of both carboxy groups of any dicarboxylic acid that contains no carbon-carbon double bonds.
formula: C2O4R
id: CHEBI:133291
smiles: [O-]C(*C([O-])=O)=O
has related synonym: a saturated dicarboxylic acid
has OBO namespace: chebi_ontology
has related synonym: saturated dicarboxylate(2-)
in subset: 3 STAR

oxo dicarboxylic acid dianion
type: Class
subclass of: dicarboxylic acid dianion
IAO_0000115: A dicarboxylic acid dianion obtained by deprotonation of both carboxy groups of any oxo dicarboxylic acid.
id: CHEBI:133294
has OBO namespace: chebi_ontology
has related synonym: oxo dicarboxylic acid
in subset: 3 STAR

homovanillate
type: Class
subclass of: hydroxy monocarboxylic acid anion
has exact synonym: (4-hydroxy-3-methoxyphenyl)acetate
charge: -1
monoisotopicmass: 181.050
mass: 181.166
has related synonym: 3-methoxy-4-hydroxyphenylacetate
IAO_0000115: A hydroxy monocarboxylic acid anion which is obtained by deprotonation of the carboxy group of homovanillic acid.
smiles: C1=C(C(=CC(=C1)CC([O-])=O)OC)O
formula: C9H9O4
id: CHEBI:133744
inchi: InChI=1S/C9H10O4/c1-13-8-4-6(5-9(11)12)2-3-7(8)10/h2-4,10H,5H2,1H3,(H,11,12)/p-1
inchikey: QRMZSPFSDQBLIX-UHFFFAOYSA-M
has OBO namespace: chebi_ontology
in subset: 3 STAR

citrate anion
type: Class
subclass of: tricarboxylic acid anion
IAO_0000115: A tricarboxylic acid anion obtained by deprotonation of at least one of the carboxy groups of citric acid.
id: CHEBI:133748
has OBO namespace: chebi_ontology
has related synonym: citrate
has related synonym: citrate anions
in subset: 3 STAR

volatile organic compound
type: Class
subclass of: organic molecule
IAO_0000115: Any organic compound having an initial boiling point less than or equal to 250 degreeC (482 degreeF) measured at a standard atmospheric pressure of 101.3 kPa.
id: CHEBI:134179
has related synonym: VOC
has related synonym: VOCs
has db xref: Wikipedia:Volatile_organic_compound
has OBO namespace: chebi_ontology
has related synonym: volatile organic compounds
in subset: 3 STAR

alkanesulfonate oxoanion
type: Class
subclass of: organosulfonate oxoanion
charge: -1
monoisotopicmass: 93.972
mass: 94.091
IAO_0000115: An alkanesulfonate in which the carbon at position 1 is attached to R, which can represent hydrogens, a carbon chain, or other groups.
smiles: C(S([O-])(=O)=O)*
formula: CH2O3SR
id: CHEBI:134249
has alternative id: CHEBI:22318
has db xref: MetaCyc:Alkanesulfonates
has related synonym: alkanesulfonate oxoanions
has related synonym: alkanesulfonates
has related synonym: an alkanesulfonate
has OBO namespace: chebi_ontology
in subset: 3 STAR

guaiacols
type: Class
subclass of: monomethoxybenzene
subclass of: phenols
charge: 0
has related synonym: 1-hydroxy-2-methoxybenzenes
monoisotopicmass: 120.021
mass: 120.106
has related synonym: 2-methoxyphenol
has related synonym: 2-methoxyphenol derivative
has related synonym: 2-methoxyphenol derivatives
has related synonym: 2-methoxyphenols
IAO_0000115: Any phenol carrying an additional methoxy substituent at the ortho-position.
smiles: C1(=C(C(=C(C(=C1*)*)*)OC)O)*
formula: C7H4O2R4
id: CHEBI:134251
has alternative id: CHEBI:13645
has db xref: MetaCyc:Guaiacols
has related synonym: a guaiacol
has related synonym: catechol monomethyl ether
has related synonym: catechol monomethyl ethers
has OBO namespace: chebi_ontology
has related synonym: o-methoxyphenol
has related synonym: o-methoxyphenols
has related synonym: ortho-methoxyphenol
has related synonym: ortho-methoxyphenols
in subset: 3 STAR

allylic alcohol
type: Class
subclass of: alcohol
subclass of: olefinic compound
charge: 0
monoisotopicmass: 53.003
mass: 53.040
IAO_0000115: An alcohol where the hydroxy group is attached to a saturated carbon atom adjacent to a double bond (R groups may be H, organyl, etc.).
smiles: C(C(=C(*)*)*)(O)(*)*
formula: C3HOR5
id: CHEBI:134361
has related synonym: allylic alcohols
has OBO namespace: chebi_ontology
in subset: 3 STAR

primary allylic alcohol
type: Class
subclass of: allylic alcohol
subclass of: primary alcohol
charge: 0
monoisotopicmass: 55.018
mass: 55.055
IAO_0000115: An allylic alcohol in which the carbon atom that links the double bond to the hydroxy group is also attached to two hydrogens.
smiles: C(C(=C(*)*)*)(O)([H])[H]
formula: C3H3OR3
id: CHEBI:134394
has OBO namespace: chebi_ontology
has related synonym: primary allylic alcohols
in subset: 3 STAR

3-oxo-5alpha-steroid
type: Class
subclass of: 3-oxo steroid
charge: 0
monoisotopicmass: 273.222
mass: 273.434
has related synonym: 3-oxo 5alpha- steroid
has related synonym: 3-oxo 5alpha- steroids
has related synonym: 3-oxo 5alpha-steroids
IAO_0000115: A 3-oxo steroid that has alpha configuration at position 5.
formula: C19H29OR
id: CHEBI:13601
has alternative id: CHEBI:1622
has alternative id: CHEBI:20150
has db xref: KEGG:C02940
has db xref: MetaCyc:3-Oxo-5-Alpha-Steroids
has related synonym: a 3-oxo-5alpha-steroid
has OBO namespace: chebi_ontology
in subset: 3 STAR

glycol
type: Class
subclass of: diol
IAO_0000115: A diol in which the two hydroxy groups are on different carbon atoms, usually but not necessarily adjacent.
id: CHEBI:13643
has related synonym: Glykol
has related synonym: a glycol
has OBO namespace: chebi_ontology
has exact synonym: glycols
in subset: 3 STAR

3-oxo-Delta(4)-steroid group
type: Class
subclass of: organic group
charge: 0
monoisotopicmass: 94.042
mass: 94.111
IAO_0000115: An organic group derived from any 3-oxo-Delta(4)-steroid.
smiles: C1=C(C*)*C(CC1=O)*
formula: C6H6O
id: CHEBI:136849
has related synonym: a 3-oxo-Delta4-steroid group
has OBO namespace: chebi_ontology
in subset: 3 STAR

pro-agent
type: Class
subclass of: application
IAO_0000115: A compound that, on administration, undergoes conversion by biochemical (enzymatic), chemical (possibly following an enzymatic step), or physical (e.g. photochemical) activation processes before becoming the active agent for which it is a pro-agent.
id: CHEBI:136859
has db xref: PMID:26449612
has OBO namespace: chebi_ontology
has related synonym: pro-agents
has related synonym: proagent
has related synonym: proagents
in subset: 3 STAR

5beta steroid
type: Class
subclass of: steroid
has related synonym: 5beta steroids
has related synonym: 5beta-steroid
has related synonym: 5beta-steroids
IAO_0000115: Any steroid that has beta-configuration at position 5.
id: CHEBI:136889
has OBO namespace: chebi_ontology
in subset: 3 STAR

quinine(1+)
type: Class
subclass of: organic cation
subclass of: cinchona alkaloid
has exact synonym: (9R)-9-hydroxy-6'-methoxy-8alpha-cinchonan-1-ium
charge: +1
monoisotopicmass: 325.192
mass: 325.42470
formula: C20H25N2O2
id: CHEBI:137041
inchi: InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/p+1/t13-,14-,19-,20+/m0/s1
inchikey: LOUPRKONTZGTKE-WZBLMQSHSA-O
IAO_0000115: The monoprotonated form of quinine, the predominant species at pH7.3.
has OBO namespace: chebi_ontology
has related synonym: quinine
in subset: 3 STAR

tertiary ammonium ion
type: Class
subclass of: organic cation
charge: +1
monoisotopicmass: 15.011
mass: 15.015
IAO_0000115: An organic cation obtained by protonation of any tertiary amine.
id: CHEBI:137982
formula: HNR3
smiles: [NH+](*)(*)*
has related synonym: a tertiary amine
has OBO namespace: chebi_ontology
has related synonym: tertiary amine(1+)
has related synonym: tertiary ammonium ions
in subset: 3 STAR

3-(1-methylpyrrolidin-2-yl)pyridine
type: Class
subclass of: pyridine alkaloid
subclass of: pyrrolidine alkaloid
subclass of: N-alkylpyrrolidine
charge: 0
monoisotopicmass: 162.116
mass: 162.232
has exact synonym: 3-(1-methylpyrrolidin-2-yl)pyridine
IAO_0000115: An N-alkylpyrrolidine that consists of N-methylpyrrolidine bearing a pyridin-3-yl substituent at position 2.
formula: C10H14N2
smiles: C=1C=C(C2N(CCC2)C)C=NC1
id: CHEBI:138000
inchi: InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3
inchikey: SNICXCGAKADSCV-UHFFFAOYSA-N
has OBO namespace: chebi_ontology
in subset: 3 STAR

endocrine disruptor
type: Class
subclass of: hormone receptor modulator
IAO_0000115: Any compound that can disrupt the functions of the endocrine (hormone) system
id: CHEBI:138015
has db xref: PMID:27929035
has db xref: PMID:28356401
has db xref: PMID:28526231
has db xref: Wikipedia:Endocrine_disruptor
has OBO namespace: chebi_ontology
has related synonym: endocrine disrupting chemical
has related synonym: endocrine disrupting chemicals
has related synonym: endocrine disrupting compound
has related synonym: endocrine disrupting compounds
has related synonym: endocrine disruptors
has related synonym: endocrine-disrupting chemical
has related synonym: endocrine-disrupting chemicals
has related synonym: hormonally active agent
has related synonym: hormonally active agents
in subset: 3 STAR

inorganic acid
type: Class
subclass of: Bronsted acid
IAO_0000115: A Bronsted acid derived from one or more inorganic compounds. Inorganic acids (also known as mineral acids) form hydrons and conjugate base ions when dissolved in water.
id: CHEBI:138103
has db xref: Wikipedia:Mineral_acid
has OBO namespace: chebi_ontology
has related synonym: inorganic acids
has related synonym: mineral acid
has related synonym: mineral acids
in subset: 3 STAR

Delta(5),Delta(7)-sterol
type: Class
subclass of: sterol
charge: 0
monoisotopicmass: 271.206
mass: 271.418
IAO_0000115: Any sterol containing two double bonds between positions 5-6 and 7-8.
formula: C19H27OR
id: CHEBI:138131
has db xref: MetaCyc:Delta5-Delta7-Steroids
has related synonym: a Delta(5),Delta(7)-sterol
has OBO namespace: chebi_ontology
in subset: 3 STAR

17alpha-hydroxy-C21-steroid
type: Class
subclass of: 17alpha-hydroxy steroid
subclass of: C21-steroid
charge: 0
monoisotopicmass: 304.277
mass: 304.511
IAO_0000115: Any C21-steroid carrying a hydroxy substituent at the 17alpha-position. Note that individual examples may have ring substituents at other positions and/or contain double bonds, aromatic A-rings, expanded/contracted rings etc., so the formula and mass may vary from that given for the generic structure.
formula: C21H36O
id: CHEBI:138141
inchi: InChI=1S/C21H36O/c1-4-21(22)14-11-18-16-9-8-15-7-5-6-12-19(15,2)17(16)10-13-20(18,21)3/h15-18,22H,4-14H2,1-3H3/t15?,16?,17?,18?,19?,20?,21-/m1/s1
inchikey: JSIVWCLRCGAVHN-ILZKQPLKSA-N
has db xref: MetaCyc:17a-hydroxy-C21-steroids
has related synonym: a 17alpha-hydroxy-C21-steroid
has OBO namespace: chebi_ontology
in subset: 3 STAR

bile acids
type: Class
subclass of: monocarboxylic acid
subclass of: hydroxy steroid
subclass of: cholanoid
IAO_0000115: Any member of a group of hydroxy steroids occuring in bile, where they are present as the sodium salts of their amides with glycine or taurine. In mammals bile acids almost invariably have 5beta-configuration, while in lower vertebrates, some bile acids, known as allo-bile acids, have 5alpha-configuration.
id: CHEBI:138366
has OBO namespace: chebi_ontology
in subset: 3 STAR

apoprotein
type: Class
subclass of: simple protein
IAO_0000115: An apoprotein is a protein devoid of its characteristic prosthetic group or metal.
id: CHEBI:13850
has db xref: KEGG:C16240
has exact synonym: apoprotein
has related synonym: apoproteins
has OBO namespace: chebi_ontology
in subset: 3 STAR

gas molecular entity
type: Class
subclass of: main group molecular entity
IAO_0000115: Any main group molecular entity that is gaseous at standard temperature and pressure (STP; 0degreeC and 100 kPa).
id: CHEBI:138675
has db xref: Wikipedia:https://en.wikipedia.org/wiki/Gas
has OBO namespace: chebi_ontology
has related synonym: gas molecular entities
has related synonym: gaseous molecular entities
has related synonym: gaseous molecular entity
in subset: 3 STAR

carotenoid beta-end group
type: Class
subclass of: carotenoid
charge: 0
monoisotopicmass: 255.211
mass: 255.418
IAO_0000115: Any carotenoid derivative with an beta-end group
smiles: C1(=C(CCCC1(C)C)C)/C=C/C(=C/C=C/C(=C/*)/C)/C
formula: C19H27R
id: CHEBI:139120
has db xref: MetaCyc:Carotenoid-beta-end-group
has related synonym: a carotenoid beta-end derivative
has OBO namespace: chebi_ontology
in subset: 2 STAR

carbamate
type: Class
subclass of: amino-acid anion
charge: -1
monoisotopicmass: 60.009
mass: 60.03212
has db xref: Beilstein:3903503
has db xref: CAS:302-11-4
formula: CH2NO2
id: CHEBI:13941
has related synonym: Carbamat
has db xref: Gmelin:239604
inchi: InChI=1S/CH3NO2/c2-1(3)4/h2H2,(H,3,4)/p-1
inchikey: KXDHJXZQYSOELW-UHFFFAOYSA-M
has related synonym: Karbamat
smiles: NC([O-])=O
has exact synonym: carbamate
has related synonym: carbamate ion
has related synonym: carbamic acid, ion(1-)
has OBO namespace: chebi_ontology
in subset: 3 STAR

alpha-hydroxy ketone
type: Class
subclass of: alcohol
subclass of: alpha-oxyketone
IAO_0000115: An alpha-oxyketone that has a hydroxy group as the alpha-oxy moiety.
id: CHEBI:139588
has db xref: PMID:15326516
has db xref: PMID:19908854
has db xref: PMID:20382022
has db xref: PMID:23295224
has related synonym: alpha-hydroxy ketones
has related synonym: alpha-hydroxy-ketone
has related synonym: alpha-hydroxy-ketones
has related synonym: alpha-hydroxyketone
has related synonym: alpha-hydroxyketones
has OBO namespace: chebi_ontology
in subset: 3 STAR

retinoid anion
type: Class
subclass of: carboxylic acid anion
IAO_0000115: A carboxylic acid anion obtained by deprotonation of any retinoid carboxy group.
id: CHEBI:139589
has OBO namespace: chebi_ontology
has related synonym: retinoate
has related synonym: retinoates
has related synonym: retinoid anions
has related synonym: retinoid carboxylate anion
has related synonym: retinoid carboxylate anions
has related synonym: retinoid carboxylic acid anion
has related synonym: retinoid carboxylic acid anions
in subset: 3 STAR

primary alpha-hydroxy ketone
type: Class
subclass of: alpha-hydroxy ketone
subclass of: primary alcohol
smiles: *C(C(O)([H])[H])=O
charge: 0
monoisotopicmass: 59.013
mass: 59.044
IAO_0000115: An alpha-hydroxy ketone in which the carbonyl group and the hydroxy group are linked by a -CH2 (methylene) group.
formula: C2H3O2R
id: CHEBI:139590
has OBO namespace: chebi_ontology
has related synonym: primary alpha-hydroxy ketones
has related synonym: primary alpha-hydroxy-ketone
has related synonym: primary alpha-hydroxy-ketones
has related synonym: primary alpha-hydroxyketone
has related synonym: primary alpha-hydroxyketones
in subset: 3 STAR

tertiary alpha-hydroxy ketone
type: Class
subclass of: alpha-hydroxy ketone
subclass of: tertiary alcohol
charge: 0
monoisotopicmass: 56.998
mass: 57.028
IAO_0000115: An alpha-hydroxy ketone in which the carbonyl group and the hydroxy group are linked by a carbon bearing two organyl groups.
smiles: C(C(=O)*)(O)(*)*
formula: C2HO2R3
id: CHEBI:139592
has OBO namespace: chebi_ontology
has related synonym: tertiary alpha-hydroxy ketones
has related synonym: tertiary alpha-hydroxy-ketone
has related synonym: tertiary alpha-hydroxy-ketones
has related synonym: tertiary alpha-hydroxyketone
has related synonym: tertiary alpha-hydroxyketones
in subset: 3 STAR

secondary carboxamide
type: Class
subclass of: carboxamide
charge: 0
monoisotopicmass: 43.006
mass: 43.025
IAO_0000115: A carboxamide resulting from the formal condensation of a carboxylic acid with a primary amine; formula RC(=O)NHR(1).
id: CHEBI:140325
formula: CHNOR2
smiles: N(C(*)=O)(*)[H]
has OBO namespace: chebi_ontology
has related synonym: secondary carboxamides
in subset: 3 STAR

fatty acid 4:0
type: Class
subclass of: short-chain fatty acid
smiles: *C(O)=O
charge: 0
monoisotopicmass: 44.998
mass: 45.017
IAO_0000115: Any saturated fatty acid containing 4 carbons.
id: CHEBI:140601
formula: CHO2R
has OBO namespace: chebi_ontology
in subset: 3 STAR

alkylcob(III)alamin
type: Class
subclass of: cob(III)alamins
charge: 0
monoisotopicmass: 1328.564
mass: 1329.350
formula: C62H88CoN13O14PR
id: CHEBI:140785
has db xref: MetaCyc:CPD-20938
has related synonym: an alkylcob(III)alamin
has OBO namespace: chebi_ontology
in subset: 2 STAR

24G7 epitope
type: Class
subclass of: group
charge: 0
monoisotopicmass: 134.048
mass: 134.136
IAO_0000115: An antigenic epitope recognized by an anti-bilirubin monoclonal antibody designated 24G7. A substructure of bilirubin IXalpha, it is the region containing the oxo group at C-1, the methyl group at C-2, C-(4, 5, 6, 9), and N-21 and -22.
smiles: C(=CC(NC(=*)*)=*)(NC(C(C)=*)=O)*
formula: C7H6N2O
id: CHEBI:142163
has OBO namespace: chebi_ontology
in subset: 3 STAR

purines D-ribonucleoside
type: Class
subclass of: purine ribonucleoside
charge: 0
monoisotopicmass: 251.078
mass: 251.219
IAO_0000115: A purine ribonucleoside that is a purine derivative attached to a beta-D-ribofuranosyl residue at position 9 via a glycosidic (N-glycosyl) linkage.
formula: C10H11N4O4R2
id: CHEBI:142355
has related synonym: a purine D-ribonucleoside
has OBO namespace: chebi_ontology
in subset: 3 STAR

glutamate(1-)
type: Class
subclass of: alpha-amino-acid anion
charge: -1
monoisotopicmass: 146.045
mass: 146.12136
has related synonym: 2-ammoniopentanedioate
IAO_0000115: An alpha-amino-acid anion that is the conjugate base of glutamic acid, having anionic carboxy groups and a cationic amino group
formula: C5H8NO4
id: CHEBI:14321
has db xref: Gmelin:327908
inchi: InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1
inchikey: WHUUTDBJXJRKMK-UHFFFAOYSA-M
smiles: [NH3+]C(CCC([O-])=O)C([O-])=O
has OBO namespace: chebi_ontology
has related synonym: glutamate
has exact synonym: glutamate(1-)
has related synonym: glutamic acid monoanion
has exact synonym: hydrogen glutamate
in subset: 3 STAR

electron donor
type: Class
subclass of: donor
IAO_0000115: A molecular entity that can transfer an electron to another molecular entity.
id: CHEBI:15022
has related synonym: Elektronendonator
has OBO namespace: chebi_ontology
has related synonym: donneur d'electron
has exact synonym: electron donor
in subset: 3 STAR

retinal
type: Class
subclass of: retinals
subclass of: enal
charge: 0
monoisotopicmass: 284.214
mass: 284.43572
has exact synonym: 3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenal
IAO_0000115: An enal that consists of 3,7-dimethyl-9-nona-2,4,6,8-tetraenal (double bond geometry unspecified) carrying a 2,6,6-trimethylcyclohex-1-en-1-yl group at the 9-position.
formula: C20H28O
id: CHEBI:15035
inchi: InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3
has db xref: MetaCyc:Retinals
inchikey: NCYCYZXNIZJOKI-UHFFFAOYSA-N
has db xref: Reaxys:2055098
has OBO namespace: chebi_ontology
has exact synonym: retinal
in subset: 3 STAR

retinoate
type: Class
subclass of: retinoid anion
subclass of: monocarboxylic acid anion
charge: -1
monoisotopicmass: 299.201
mass: 299.42718
has exact synonym: 3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoate
formula: C20H27O2
smiles: CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC([O-])=O
id: CHEBI:15036
inchi: InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/p-1
inchikey: SHGAZHPCJJPHSC-UHFFFAOYSA-M
has OBO namespace: chebi_ontology
has exact synonym: retinoate
in subset: 3 STAR

sulfide(2-)
type: Class
subclass of: divalent inorganic anion
charge: -2
monoisotopicmass: 31.972
mass: 32.06600
IAO_0000115: A divalent inorganic anion obtained by removal of both protons from hydrogen sulfide.
has db xref: CAS:18496-25-8
id: CHEBI:15138
inchi: InChI=1S/S/q-2
formula: S
has related synonym: S(2-)
has related synonym: Sulfide
inchikey: UCKMPCXJQFINFW-UHFFFAOYSA-N
has db xref: UM-BBD_compID:c0569
smiles: [S--]
has OBO namespace: chebi_ontology
has exact synonym: sulfanediide
has related synonym: sulfide
has exact synonym: sulfide(2-)
has related synonym: sulphide
in subset: 3 STAR

xanthine
type: Class
subclass of: oxopurine
subclass of: purine nucleobase
IAO_0000115: A purine nucleobase found in humans and other organisms.
formula: C5H4N4O2
id: CHEBI:15318
has db xref: ECMDB:ECMDB00292
has db xref: KNApSAcK:C00019660
has db xref: PMID:24629268
has db xref: YMDB:YMDB00263
has OBO namespace: chebi_ontology
in subset: 3 STAR

acceptor
type: Class
subclass of: chemical role
has related synonym: A
IAO_0000115: A molecular entity that can accept an electron, a pair of electrons, an atom or a group from another molecular entity.
has exact synonym: Acceptor
has related synonym: Akzeptor
has alternative id: CHEBI:13699
id: CHEBI:15339
has alternative id: CHEBI:2377
has related synonym: Hydrogen-acceptor
has db xref: KEGG:C00028
has db xref: KEGG:C16722
has related synonym: Oxidized donor
has related synonym: accepteur
has exact synonym: acceptor
has OBO namespace: chebi_ontology
in subset: 3 STAR

acetone
type: Class
subclass of: volatile organic compound
subclass of: propanones
subclass of: methyl ketone
subclass of: ketone body
charge: 0
has related synonym: 2-Propanone
monoisotopicmass: 58.042
mass: 58.07914
IAO_0000115: A methyl ketone that consists of propane bearing an oxo group at C2.
has exact synonym: ACETONE
has related synonym: Aceton
has exact synonym: Acetone
has related synonym: Azeton
has db xref: Beilstein:635680
formula: C3H6O
has db xref: CAS:67-64-1
smiles: CC(C)=O
has alternative id: CHEBI:13708
id: CHEBI:15347
has alternative id: CHEBI:22182
has alternative id: CHEBI:2398
has alternative id: CHEBI:40571
inchikey: CSCPPACGZOOCGX-UHFFFAOYSA-N
has related synonym: Dimethyl ketone
has related synonym: Dimethylketon
has db xref: Gmelin:1466
has db xref: HMDB:HMDB0001659
inchi: InChI=1S/C3H6O/c1-3(2)4/h1-2H3
has db xref: KEGG:C00207
has db xref: KEGG:D02311
has db xref: LIPID_MAPS_instance:LMFA12000057
has db xref: MetaCyc:ACETONE
has db xref: PDBeChem:ACN
has db xref: PMID:17190852
has db xref: PMID:17347819
has related synonym: Propanon
has related synonym: Pyroacetic ether
has db xref: Reaxys:635680
has db xref: UM-BBD_compID:c0556
has db xref: Wikipedia:Acetone
has exact synonym: acetone
has related synonym: beta-Ketopropane
has OBO namespace: chebi_ontology
has related synonym: dimethylcetone
has related synonym: dimethylketone
has related synonym: methyl ketone
has exact synonym: propan-2-one
has related synonym: propanone
in subset: 3 STAR

choline
type: Class
subclass of: cholines
charge: +1
monoisotopicmass: 104.108
mass: 104.17080
has exact synonym: 2-hydroxy-N,N,N-trimethylethanaminium
IAO_0000115: A choline that is the parent compound of the cholines class, consisting of ethanolamine having three methyl substituents attached to the amino function.
has db xref: Beilstein:1736748
has related synonym: Bilineurine
formula: C5H14NO
has db xref: CAS:62-49-7
has alternative id: CHEBI:13985
id: CHEBI:15354
has alternative id: CHEBI:23212
has alternative id: CHEBI:3665
has alternative id: CHEBI:41524
has related synonym: CHOLINE ION
smiles: C[N+](C)(C)CCO
has exact synonym: Choline
has db xref: DrugBank:DB00122
has db xref: Drug_Central:3097
has db xref: ECMDB:ECMDB00097
has db xref: Gmelin:324597
has db xref: HMDB:HMDB0000097
inchi: InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1
has db xref: KEGG:C00114
has db xref: KEGG:D07690
has db xref: KNApSAcK:C00007298
has db xref: MetaCyc:CHOLINE
has related synonym: N,N,N-trimethylethanol-ammonium
has related synonym: N-trimethylethanolamine
inchikey: OEYIOHPDSNJKLS-UHFFFAOYSA-N
has db xref: PDBeChem:CHT
has db xref: PMID:10930630
has db xref: PMID:12826235
has db xref: PMID:12946691
has db xref: PMID:14972364
has db xref: PMID:16210714
has db xref: PMID:17087106
has db xref: PMID:17283071
has db xref: PMID:17344490
has db xref: PMID:18204095
has db xref: PMID:18230680
has db xref: PMID:18786517
has db xref: PMID:18786520
has db xref: PMID:19246089
has db xref: PMID:20038853
has db xref: PMID:20446114
has db xref: PMID:22770225
has db xref: PMID:22961562
has db xref: PMID:23095202
has db xref: PMID:23616508
has db xref: PMID:23637565
has db xref: PMID:23733158
has db xref: PMID:6420466
has db xref: PMID:7590654
has db xref: PMID:9517478
has db xref: Reaxys:1736748
has db xref: Wikipedia:Choline
has db xref: YMDB:YMDB00227
has OBO namespace: chebi_ontology
has exact synonym: choline
has related synonym: trimethylethanolamine
in subset: 3 STAR

acetylcholine
type: Class
subclass of: acylcholine
subclass of: acetate ester
charge: +1
monoisotopicmass: 146.118
mass: 146.20748
has exact synonym: 2-acetyloxy-N,N,N-trimethylethanaminium
has exact synonym: ACETYLCHOLINE
has related synonym: ACh
has exact synonym: Acetylcholine
IAO_0000115: Actylcholine is an ester of acetic acid and choline, which acts as a neurotransmitter.
has related synonym: Azetylcholin
has db xref: Beilstein:1764436
formula: C7H16NO2
has db xref: CAS:51-84-3
smiles: CC(=O)OCC[N+](C)(C)C
has alternative id: CHEBI:12686
has alternative id: CHEBI:13715
id: CHEBI:15355
has alternative id: CHEBI:22197
has alternative id: CHEBI:2416
has alternative id: CHEBI:40559
has db xref: DrugBank:DB03128
has db xref: Drug_Central:65
has db xref: Gmelin:326108
inchi: InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1
has db xref: KEGG:C01996
has db xref: LINCS:LSM-5888
has related synonym: O-Acetylcholine
inchikey: OIPILFWXSMYKGL-UHFFFAOYSA-N
has db xref: PDBeChem:ACH
has db xref: PMID:14764638
has db xref: PMID:15014918
has db xref: PMID:15231705
has db xref: PMID:15361288
has db xref: PMID:18050502
has db xref: PMID:18407448
has db xref: PMID:19255787
has db xref: PMID:20963497
has db xref: PMID:21130809
has db xref: PMID:21246223
has db xref: PMID:21545631
has db xref: PMID:21601579
has db xref: Wikipedia:Acetylcholine
has exact synonym: acetylcholine
has OBO namespace: chebi_ontology
has related synonym: choline acetate
in subset: 3 STAR

cysteine
type: Class
subclass of: sulfur-containing amino acid
subclass of: alpha-amino acid
subclass of: Restriction
  on property: has part
  some values from: sulfanylmethyl group
charge: 0
monoisotopicmass: 121.020
mass: 121.15922
has related synonym: 2-Amino-3-mercaptopropionic acid
has related synonym: 2-amino-3-mercaptopropanoic acid
has related synonym: 2-amino-3-sulfanylpropanoic acid
IAO_0000115: A sulfur-containing amino acid that is propanoic acid with an amino group at position 2 and a sulfanyl group at position 3.
has db xref: Beilstein:1721406
has related synonym: C
formula: C3H7NO2S
has db xref: CAS:3374-22-9
has alternative id: CHEBI:14061
id: CHEBI:15356
has alternative id: CHEBI:23508
has alternative id: CHEBI:4050
has related synonym: Cys
has related synonym: Cystein
has exact synonym: Cysteine
has db xref: Gmelin:2933
has related synonym: Hcys
inchi: InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)
has db xref: KEGG:C00736
has db xref: KNApSAcK:C00001351
has db xref: KNApSAcK:C00007323
smiles: NC(CS)C(O)=O
has db xref: PMID:17439666
has db xref: PMID:25181601
has db xref: Reaxys:1721406
has db xref: Wikipedia:Cysteine
inchikey: XUJNEKJLAYXESH-UHFFFAOYSA-N
has related synonym: Zystein
has OBO namespace: chebi_ontology
has related synonym: cisteina
has exact synonym: cysteine
in subset: 3 STAR

pyruvate
type: Class
subclass of: 2-oxo monocarboxylic acid anion
charge: -1
has exact synonym: 2-oxopropanoate
has related synonym: 2-oxopropanoate
has related synonym: 2-oxopropanoic acid, ion(1-)
monoisotopicmass: 87.008
mass: 87.05412
IAO_0000115: A 2-oxo monocarboxylic acid anion that is the conjugate base of pyruvic acid, arising from deprotonation of the carboxy group.
has db xref: Beilstein:3587721
formula: C3H3O3
has db xref: CAS:57-60-3
smiles: CC(=O)C([O-])=O
has alternative id: CHEBI:14987
id: CHEBI:15361
has alternative id: CHEBI:26462
has db xref: Gmelin:2502
inchi: InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)/p-1
has db xref: KEGG:C00022
inchikey: LCTONWCANYUPML-UHFFFAOYSA-M
has db xref: PMID:17190852
has db xref: PMID:21603897
has db xref: PMID:21823181
has db xref: PMID:21854850
has db xref: PMID:22006570
has db xref: PMID:22016370
has db xref: PMID:22215378
has db xref: PMID:22311625
has db xref: PMID:22451307
has db xref: PMID:22458763
has db xref: Reaxys:3587721
has db xref: UM-BBD_compID:c0159
has OBO namespace: chebi_ontology
has exact synonym: pyruvate
in subset: 3 STAR

acetic acid
type: Class
subclass of: monocarboxylic acid
charge: 0
monoisotopicmass: 60.021
mass: 60.05200
IAO_0000115: A simple monocarboxylic acid containing two carbons.
has exact synonym: ACETIC ACID
has related synonym: AcOH
has exact synonym: Acetic acid
has db xref: Beilstein:506007
formula: C2H4O2
has db xref: CAS:64-19-7
smiles: CC(O)=O
has related synonym: CH3-COOH
has related synonym: CH3CO2H
id: CHEBI:15366
has alternative id: CHEBI:22169
has alternative id: CHEBI:2387
has alternative id: CHEBI:40486
has db xref: Drug_Central:4211
has related synonym: E 260
has related synonym: E-260
has related synonym: E260
has related synonym: Essigsaeure
has related synonym: Ethanoic acid
has related synonym: Ethylic acid
has db xref: Gmelin:1380
has db xref: HMDB:HMDB0000042
has related synonym: HOAc
has related synonym: INS No. 260
inchi: InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)
has db xref: KEGG:C00033
has db xref: KEGG:D00010
has db xref: KNApSAcK:C00001176
has db xref: LIPID_MAPS_instance:LMFA01010002
has related synonym: MeCO2H
has related synonym: MeCOOH
has db xref: MetaCyc:ACET
has related synonym: Methanecarboxylic acid
has db xref: PDBeChem:ACT
has db xref: PDBeChem:ACY
has db xref: PMID:12005138
has db xref: PMID:15107950
has db xref: PMID:16630552
has db xref: PMID:16774200
has db xref: PMID:17190852
has db xref: PMID:19416101
has db xref: PMID:19469536
has db xref: PMID:22153255
has db xref: PMID:22173419
has db xref: PPDB:1333
inchikey: QTBSBXVTEAMEQO-UHFFFAOYSA-N
has db xref: Reaxys:506007
has db xref: Wikipedia:Acetic_acid
has exact synonym: acetic acid
has related synonym: acide acetique
has OBO namespace: chebi_ontology
has related synonym: ethoic acid
in subset: 3 STAR

all-trans-retinoic acid
type: Class
subclass of: retinoic acid
has exact synonym: (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid
has related synonym: (all-E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid
charge: 0
has related synonym: 3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexene-1-yl)-2,4,6,8-nonatetraenoic acid (ECL)
monoisotopicmass: 300.209
mass: 300.43512
IAO_0000115: A retinoic acid in which all four exocyclic double bonds have E- (trans-) geometry.
has related synonym: AGN 100335
has related synonym: Acide retinoique (French) (DSL)
has db xref: Beilstein:2057223
formula: C20H28O2
has db xref: CAS:302-79-4
smiles: CC(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(C)=C/C(O)=O
id: CHEBI:15367
has alternative id: CHEBI:45376
has alternative id: CHEBI:8815
has db xref: DrugBank:DB00755
has db xref: Drug_Central:2722
has db xref: HMDB:HMDB0001852
inchi: InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+
has db xref: KEGG:C00777
has db xref: KEGG:D00094
has db xref: LIPID_MAPS_instance:LMPR01090019
has db xref: PDBeChem:REA
has db xref: PMID:11073974
has db xref: PMID:11214352
has db xref: PMID:11332619
has db xref: PMID:11343416
has db xref: PMID:11437362
has db xref: PMID:11556813
has db xref: PMID:11722649
has db xref: PMID:11896294
has db xref: PMID:11904404
has db xref: PMID:14581379
has db xref: PMID:14605492
has db xref: PMID:14627725
has db xref: PMID:14704332
has db xref: PMID:14705145
has db xref: PMID:14978018
has db xref: PMID:15194426
has db xref: PMID:15318809
has db xref: PMID:15327395
has db xref: PMID:15359008
has db xref: PMID:15376324
has db xref: PMID:15476854
has db xref: PMID:15537748
has db xref: PMID:15539337
has db xref: PMID:15675886
has db xref: PMID:15839997
has db xref: PMID:16569247
has db xref: PMID:16685080
has db xref: PMID:16688769
has db xref: PMID:16720557
has db xref: PMID:16819260
has db xref: PMID:16847436
has db xref: PMID:16920920
has db xref: PMID:17073551
has db xref: PMID:17166212
has db xref: PMID:17204142
has db xref: PMID:18052213
has db xref: PMID:18085670
has db xref: PMID:18162363
has db xref: PMID:18183617
has db xref: PMID:18318655
has db xref: PMID:18322276
has db xref: PMID:18400206
has db xref: PMID:18404486
has db xref: PMID:18440196
has db xref: PMID:18678272
has db xref: PMID:18819820
has db xref: PMID:18977311
has db xref: PMID:19112091
has db xref: PMID:19144697
has db xref: PMID:19427305
has db xref: PMID:19587328
has db xref: PMID:19597529
has db xref: PMID:19814868

biopterin
type: Class
subclass of: biopterins
charge: 0
has related synonym: 2-Amino-6-(1,2-dihydroxypropyl)-4(1H)-pteridinone
has related synonym: 2-amino-6-(1,2-dihydroxypropyl)-4(1H)-pteridinone
has exact synonym: 2-amino-6-(1,2-dihydroxypropyl)pteridin-4(3H)-one
monoisotopicmass: 237.086
mass: 237.21554
IAO_0000115: A pterin derivative that consists of pterin bearing amino, oxo and 1,2-dihydroxypropyl substituents at positions 2, 4 and 6 respectively. The parent of the class of biopterins; the L-erythro isomer occurs widely in nature.
has exact synonym: Biopterin
formula: C9H11N5O3
has db xref: CAS:22150-76-1
smiles: CC(O)C(O)c1cnc2nc(N)[nH]c(=O)c2n1
has alternative id: CHEBI:13904
id: CHEBI:15373
has alternative id: CHEBI:22880
has alternative id: CHEBI:3107
has db xref: DrugBank:DB03886
inchi: InChI=1S/C9H11N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h2-3,6,15-16H,1H3,(H3,10,11,13,14,17)
has db xref: KEGG:C06313
inchikey: LHQIJBMDNUYRAM-UHFFFAOYSA-N
has db xref: PMID:22770225
has db xref: Reaxys:234314
has db xref: Wikipedia:Biopterin
has OBO namespace: chebi_ontology
in subset: 3 STAR

water
type: Class
subclass of: oxygen hydride
subclass of: mononuclear parent hydride
subclass of: inorganic hydroxy compound
charge: 0
monoisotopicmass: 18.011
mass: 18.01530
IAO_0000115: An oxygen hydride consisting of an oxygen atom that is covalently bonded to two hydrogen atoms.
has related synonym: BOUND WATER
has db xref: Beilstein:3587155
has db xref: CAS:7732-18-5
has alternative id: CHEBI:10743
has alternative id: CHEBI:13352
id: CHEBI:15377
has alternative id: CHEBI:27313
has alternative id: CHEBI:42043
has alternative id: CHEBI:42857
has alternative id: CHEBI:43228
has alternative id: CHEBI:44292
has alternative id: CHEBI:44701
has alternative id: CHEBI:44819
has alternative id: CHEBI:5585
has db xref: Gmelin:117
formula: H2O
has related synonym: H2O
has db xref: HMDB:HMDB0002111
has related synonym: HOH
inchi: InChI=1S/H2O/h1H2
has db xref: KEGG:C00001
has db xref: KEGG:D00001
has db xref: MetaCyc:WATER
has db xref: MolBase:1
has db xref: PDBeChem:HOH
has db xref: PDBeChem:MTO
has db xref: Reaxys:3587155
has exact synonym: WATER
has related synonym: Wasser
has exact synonym: Water
has db xref: Wikipedia:Water
inchikey: XLYOFNOQVPJJNP-UHFFFAOYSA-N
smiles: [H]O[H]
has related synonym: [OH2]
has related synonym: acqua
has related synonym: agua
has related synonym: aqua
has OBO namespace: chebi_ontology
has related synonym: dihydridooxygen
has related synonym: dihydrogen oxide
has related synonym: eau
has related synonym: hydrogen hydroxide
has exact synonym: oxidane
has exact synonym: water
in subset: 3 STAR

dioxygen
type: Class
subclass of: gas molecular entity
subclass of: elemental molecule
subclass of: diatomic oxygen
charge: 0
monoisotopicmass: 31.990
mass: 31.99880
has db xref: CAS:7782-44-7
has alternative id: CHEBI:10745
has alternative id: CHEBI:13416
id: CHEBI:15379
has alternative id: CHEBI:23833
has alternative id: CHEBI:25366
has alternative id: CHEBI:30491
has alternative id: CHEBI:44742
has alternative id: CHEBI:7860
has related synonym: Disauerstoff
has related synonym: E 948
has related synonym: E-948
has related synonym: E948
has db xref: Gmelin:485
has db xref: HMDB:HMDB0001377
inchi: InChI=1S/O2/c1-2
has db xref: KEGG:C00007
has db xref: KEGG:D00003
inchikey: MYMOFIZGZYHOMD-UHFFFAOYSA-N
has db xref: MetaCyc:OXYGEN-MOLECULE
has db xref: MolBase:750
has related synonym: O2
formula: O2
smiles: O=O
has related synonym: OXYGEN MOLECULE
has related synonym: Oxygen
has db xref: PDBeChem:OXY
has db xref: PMID:10906528
has db xref: PMID:16977326
has db xref: PMID:18210929
has db xref: PMID:18638417
has db xref: PMID:19840863
has db xref: PMID:7710549
has db xref: PMID:9463773
has db xref: Wikipedia:Oxygen
has related synonym: [OO]
has OBO namespace: chebi_ontology
has exact synonym: dioxygen
has related synonym: dioxygene
has related synonym: molecular oxygen
in subset: 3 STAR

ATP
type: Class
subclass of: purine ribonucleoside 5'-triphosphate
subclass of: adenosine 5'-phosphate
charge: 0
monoisotopicmass: 506.996
mass: 507.18100
has related synonym: ADENOSINE-5'-TRIPHOSPHATE
has exact synonym: ATP
has related synonym: Adenosine 5'-triphosphate
has related synonym: Adenosine triphosphate
IAO_0000115: An adenosine 5'-phosphate in which the 5'-phosphate is a triphosphate group. It is involved in the transportation of chemical energy during metabolic pathways.
has db xref: Beilstein:73010
formula: C10H16N5O13P3
has db xref: CAS:56-65-5
has alternative id: CHEBI:10789
has alternative id: CHEBI:10841
has alternative id: CHEBI:13236
id: CHEBI:15422
has alternative id: CHEBI:22249
has alternative id: CHEBI:2359
has alternative id: CHEBI:40938
has db xref: DrugBank:DB00171
has db xref: Drug_Central:91
has db xref: Gmelin:34857
has related synonym: H4atp
has db xref: HMDB:HMDB0000538
has db xref: KEGG:C00002
has db xref: KEGG:D08646
has db xref: KNApSAcK:C00001491
has db xref: PDBeChem:ATP
has db xref: Patent:US3079379
has db xref: Reaxys:73010
has db xref: Wikipedia:Adenosine_triphosphate
inchikey: ZKHQWZAMYRWXGA-KQYNXXCUSA-N
has exact synonym: adenosine 5'-(tetrahydrogen triphosphate)
has OBO namespace: chebi_ontology
in subset: 3 STAR

glycine
type: Class
subclass of: serine family amino acid
subclass of: alpha-amino acid
subclass of: proteinogenic amino acid
charge: 0
monoisotopicmass: 75.032
mass: 75.06664
has related synonym: Aminoacetic acid
has related synonym: Aminoessigsaeure
has db xref: Beilstein:635782
formula: C2H5NO2
has db xref: CAS:56-40-6
has alternative id: CHEBI:10792
has alternative id: CHEBI:14344
id: CHEBI:15428
has alternative id: CHEBI:24368
has alternative id: CHEBI:42964
has alternative id: CHEBI:5460
inchikey: DHMQDGOQFOQNFH-UHFFFAOYSA-N
has db xref: DrugBank:DB00145
has db xref: Drug_Central:1319
has db xref: ECMDB:ECMDB00123
has related synonym: G
has exact synonym: GLYCINE
has related synonym: Gly
has related synonym: Glycin
has exact synonym: Glycine
has related synonym: Glycocoll
has related synonym: Glykokoll
has related synonym: Glyzin
has db xref: Gmelin:1808
has related synonym: H2N-CH2-COOH
has db xref: HMDB:HMDB0000123
has related synonym: Hgly
inchi: InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)
has db xref: KEGG:C00037
has db xref: KEGG:D00011
has db xref: KNApSAcK:C00001361
has related synonym: Leimzucker
has db xref: MetaCyc:GLY
smiles: NCC(O)=O
has db xref: PDBeChem:GLY
has db xref: PMID:10930630
has db xref: PMID:11019925
has db xref: PMID:11174716
has db xref: PMID:11542461
has db xref: PMID:11806864
has db xref: PMID:12631515
has db xref: PMID:12754315
has db xref: PMID:12770151
has db xref: PMID:12921899
has db xref: PMID:15331688
has db xref: PMID:15388434
has db xref: PMID:15710237
has db xref: PMID:16105183
has db xref: PMID:16151895
has db xref: PMID:16214212
has db xref: PMID:16417482
has db xref: PMID:16444815
has db xref: PMID:16664855
has db xref: PMID:16901953
has db xref: PMID:16918424
has db xref: PMID:16986325
has db xref: PMID:16998855
has db xref: PMID:17154252
has db xref: PMID:17383967
has db xref: PMID:17582620
has db xref: PMID:17970719
has db xref: PMID:18079355
has db xref: PMID:18396796
has db xref: PMID:18440992
has db xref: PMID:18593588
has db xref: PMID:18816054
has db xref: PMID:18840508
has db xref: PMID:19028609
has db xref: PMID:19120667
has db xref: PMID:19449910
has db xref: PMID:19526731
has db xref: PMID:19544666

squalene
type: Class
subclass of: triterpene
has exact synonym: (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
has related synonym: (all-E)-2,6,10,15,19,23-hexamethyl-2,6,10,14,18,22-tetracosahexaene
charge: 0
monoisotopicmass: 410.391
mass: 410.71800
IAO_0000115: A triterpene consisting of 2,6,10,15,19,23-hexamethyltetracosane having six double bonds at the 2-, 6-, 10-, 14-, 18- and 22-positions with (all-E)-configuration.
has db xref: Beilstein:1728920
formula: C30H50
has db xref: CAS:111-02-4
smiles: CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C=C(/C)CC\C=C(/C)CCC=C(C)C
has alternative id: CHEBI:10795
has alternative id: CHEBI:10843
has alternative id: CHEBI:15104
id: CHEBI:15440
has alternative id: CHEBI:26746
has alternative id: CHEBI:9245
inchi: InChI=1S/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3/b27-17+,28-18+,29-23+,30-24+
has db xref: KEGG:C00751
has db xref: KNApSAcK:C00003755
has db xref: LIPID_MAPS_instance:LMPR0106010002
has db xref: PMID:16341241
has db xref: PMID:24362891
has related synonym: Spinacene
has exact synonym: Squalene
has related synonym: Supraene
inchikey: YYGNTYWPHWGJRM-AAJYLUCBSA-N
has OBO namespace: chebi_ontology
has exact synonym: squalene
in subset: 3 STAR

prostaglandin E2
type: Class
subclass of: prostaglandins E
has related synonym: (15S)-prostaglandin E2
has related synonym: (5Z,11alpha,13E,15S)-11,15-dihydroxy-9-oxoprosta-5,13-dien-1-oic acid
has related synonym: (5Z,13E)-(15S)-11alpha,15-Dihydroxy-9-oxoprost-13-enoate
has related synonym: (5Z,13E)-(15S)-11alpha,15-Dihydroxy-9-oxoprosta-5,13-dienoate
has exact synonym: (5Z,13E,15S)-11alpha,15-dihydroxy-9-oxoprosta-5,13-dien-1-oic acid
has related synonym: (E,Z)-(1R,2R,3R)-7-(3-Hydroxy-2-((3S)-(3-hydroxy-1-octenyl))-5-oxocyclopentyl)-5-heptenoic acid
has related synonym: (Z)-7-((1R,2R,3R)-3-hydroxy-2-((S,E)-3-hydroxyoct-1-enyl)-5-oxocyclopentyl)hept-5-enoic acid
charge: 0
monoisotopicmass: 352.225
mass: 352.46510
has db xref: Beilstein:2224724
formula: C20H32O5
has db xref: CAS:363-24-6
has alternative id: CHEBI:10910
has alternative id: CHEBI:10911
has alternative id: CHEBI:114125
id: CHEBI:15551
has alternative id: CHEBI:26323
has alternative id: CHEBI:4625
has alternative id: CHEBI:8512
has related synonym: Dinoproston
has related synonym: Dinoprostone
has db xref: DrugBank:DB00917
has db xref: Drug_Central:913
has db xref: HMDB:HMDB0001220
inchi: InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,19+/m0/s1
has db xref: KEGG:C00584
has db xref: KEGG:D00079
has db xref: LIPID_MAPS_instance:LMFA03010003
has db xref: MetaCyc:5Z13E-15S-1115-DIHYDROXY-9-OXOPROS
has related synonym: PGE2
has db xref: PMID:24501112
has db xref: PMID:7224729
has db xref: PMID:7836930
has db xref: Patent:DE2011969
has db xref: Patent:GB851827
has db xref: Patent:NL6505799
has db xref: Patent:US3598858
has related synonym: Prepidil
has related synonym: Propess
has exact synonym: Prostaglandin E2
IAO_0000115: Prostaglandin F2alpha in which the hydroxy group at position 9 has been oxidised to the corresponding ketone. Prostaglandin E2 is the most common and most biologically potent of mammalian prostaglandins.
has related synonym: Prostin E2
has db xref: Reaxys:2224724
has db xref: Wikipedia:Prostaglandin_E2
inchikey: XEYBRNLFEZDVAW-ARSRFYASSA-N
has OBO namespace: chebi_ontology
has related synonym: dinoprostona
has related synonym: dinoprostone
has related synonym: dinoprostonum
in subset: 3 STAR

sarcosine
type: Class
subclass of: N-methyl-amino acid
subclass of: N-methylglycines
subclass of: N-alkylglycine
has related synonym: (methylamino)acetic acid
has related synonym: (methylamino)ethanoic acid
charge: 0
monoisotopicmass: 89.048
mass: 89.09322
IAO_0000115: A N-alkylglycine that is the N-methyl derivative of glycine. It is an intermediate in the metabolic pathway of glycine.
has db xref: Beilstein:1699442
formula: C3H7NO2
has db xref: CAS:107-97-1
has alternative id: CHEBI:10876
has alternative id: CHEBI:12609
has alternative id: CHEBI:15065
id: CHEBI:15611
has alternative id: CHEBI:21765
has alternative id: CHEBI:45381
has alternative id: CHEBI:45442
has alternative id: CHEBI:45531
has alternative id: CHEBI:45614
has alternative id: CHEBI:9029
smiles: CNCC(O)=O
inchikey: FSYKKLYZXJSNPZ-UHFFFAOYSA-N
has db xref: Gmelin:2018
has db xref: HMDB:HMDB0000271
inchi: InChI=1S/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6)
has db xref: KEGG:C00213
has related synonym: L-sarcosine
has related synonym: MeGly
has db xref: MetaCyc:SARCOSINE
has related synonym: N-Methylglycine
has related synonym: N-methylaminoacetic acid
has db xref: PDBeChem:SAR
has db xref: PMID:11272730
has db xref: PMID:11850512
has db xref: PMID:15023571
has db xref: PMID:15331688
has db xref: PMID:16154544
has db xref: PMID:17095900
has db xref: PMID:17190852
has db xref: PMID:17901997
has db xref: PMID:19433577
has db xref: PMID:19577367
has db xref: PMID:19619564
has db xref: PMID:19944746
has db xref: Reaxys:1699442
has exact synonym: SARCOSINE
has related synonym: Sar
has exact synonym: Sarcosine
has db xref: UM-BBD_compID:c0135
has db xref: Wikipedia:Sarcosine
has OBO namespace: chebi_ontology
has related synonym: methylaminoacetic acid
has exact synonym: sarcosine
has related synonym: sarcosinic acid
in subset: 3 STAR

5-methyltetrahydrofolic acid
type: Class
subclass of: tetrahydrofolic acid
charge: 0
monoisotopicmass: 459.187
mass: 459.45580
has related synonym: 5-Methyltetrahydrofolate
formula: C20H25N7O6
has db xref: CAS:134-35-0
has alternative id: CHEBI:12146
id: CHEBI:15641
has alternative id: CHEBI:2097
has db xref: DrugBank:DB04789
inchi: InChI=1S/C20H25N7O6/c1-27-12(9-23-16-15(27)18(31)26-20(21)25-16)8-22-11-4-2-10(3-5-11)17(30)24-13(19(32)33)6-7-14(28)29/h2-5,12-13,22H,6-9H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H4,21,23,25,26,31)/t12-,13-/m0/s1
has db xref: KEGG:C00440
has db xref: KNApSAcK:C00007252
has related synonym: N-(5-methyl-5,6,7,8-tetrahydropteroyl)-L-glutamic acid
has exact synonym: N-[4-({[(6S)-2-amino-5-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid
inchikey: ZNOVTXRBGFNYRX-STQMWFEESA-N
has related synonym: [(6S)-5-methyl-5,6,7,8-tetrahydropteroyl]glutamate
has OBO namespace: chebi_ontology
in subset: 3 STAR

allantoin
type: Class
subclass of: imidazolidine-2,4-dione
subclass of: ureas
has related synonym: (2,5-Dioxo-4-imidazolidinyl)urea
charge: 0
monoisotopicmass: 158.044
mass: 158.11560
has related synonym: 2,5-Dioxo-4-imidazolidinyl-urea
has related synonym: 4-ureido-2,5-imidazolidinedione
has related synonym: 5-Ureido-2,4-imidazolidindione
has related synonym: 5-Ureidohydantoin
has exact synonym: Allantoin
IAO_0000115: An imidazolidine-2,4-dione that is 5-aminohydantoin in which a carbamoyl group is attached to the exocyclic nitrogen.
formula: C4H6N4O3
has db xref: CAS:97-59-6
has alternative id: CHEBI:13761
id: CHEBI:15676
has alternative id: CHEBI:22354
has alternative id: CHEBI:2594
has db xref: Drug_Central:4268
has related synonym: Glyoxyldiureide
has db xref: HMDB:HMDB0000462
inchi: InChI=1S/C4H6N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h1H,(H3,5,6,10)(H2,7,8,9,11)
has db xref: KEGG:C01551
has db xref: KEGG:D00121
has db xref: KNApSAcK:C00007468
has db xref: LINCS:LSM-5190
has db xref: MetaCyc:ALLANTOIN
has related synonym: N-(2,5-Dioxo-4-imidazolidinyl)urea
has exact synonym: N-(2,5-dioxoimidazolidin-4-yl)urea
smiles: NC(=O)NC1NC(=O)NC1=O
has db xref: PMID:11157020
has db xref: PMID:14619112
has db xref: PMID:17190852
inchikey: POJWUDADGALRAB-UHFFFAOYSA-N
has db xref: Patent:US2158098
has db xref: Reaxys:83514
has db xref: Wikipedia:Allantoin
has exact synonym: allantoin
has OBO namespace: chebi_ontology
in subset: 3 STAR

aldose
type: Class
subclass of: monosaccharide
charge: 0
mass: 90.07790
IAO_0000115: Aldehydic parent sugars (polyhydroxy aldehydes H[CH(OH)]nC(=O)H, n >= 2) and their intramolecular hemiacetals.
has exact synonym: Aldose
formula: C2H4O2(CH2O)n
has alternative id: CHEBI:13755
id: CHEBI:15693
has alternative id: CHEBI:22305
has alternative id: CHEBI:2561
has db xref: KEGG:C01370
has db xref: Wikipedia:Aldose
has related synonym: aldoses
has related synonym: an aldose
has OBO namespace: chebi_ontology
in subset: 3 STAR

L-alpha-amino acid
type: Class
subclass of: alpha-amino acid
charge: 0
monoisotopicmass: 74.024
mass: 74.05870
IAO_0000115: Any alpha-amino acid having L-configuration at the alpha-carbon.
formula: C2H4NO2R
has alternative id: CHEBI:13072
has alternative id: CHEBI:13243
has alternative id: CHEBI:13797
id: CHEBI:15705
has alternative id: CHEBI:21224
has alternative id: CHEBI:6175
has db xref: KEGG:C00151
has related synonym: L-2-Amino acid
has related synonym: L-Amino acid
has exact synonym: L-alpha-amino acid
has related synonym: L-alpha-amino acids
has exact synonym: L-alpha-amino acids
smiles: N[C@@H]([*])C(O)=O
has OBO namespace: chebi_ontology
in subset: 3 STAR

carnosine
type: Class
subclass of: dipeptide
charge: 0
monoisotopicmass: 226.107
mass: 226.23262
IAO_0000115: A dipeptide that is the N-(beta-alanyl) derivative of L-histidine.
formula: C9H14N4O3
has db xref: CAS:305-84-0
has alternative id: CHEBI:13948
id: CHEBI:15727
has alternative id: CHEBI:23040
has alternative id: CHEBI:3428
inchikey: CQOVPNPJLQNMDC-ZETCQYMHSA-N
has exact synonym: Carnosine
has db xref: HMDB:HMDB0000033
inchi: InChI=1S/C9H14N4O3/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6/h4-5,7H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16)/t7-/m0/s1
has db xref: KEGG:C00386
has db xref: MetaCyc:CARNOSINE
has exact synonym: N(alpha)-(beta-alanyl)-L-histidine
smiles: NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(O)=O
has related synonym: Nalpha-(beta-alanyl)-L-histidine
has db xref: PMID:16804013
has db xref: PMID:18019400
has db xref: PMID:18076890
has db xref: PMID:18773880
has db xref: PMID:24398899
has db xref: Reaxys:87671
has db xref: Wikipedia:Carnosine
has OBO namespace: chebi_ontology
in subset: 3 STAR

primary alcohol
type: Class
subclass of: alcohol
smiles: *C(O)([H])[H]
charge: 0
has related synonym: 1-Alcohol
monoisotopicmass: 31.018
mass: 31.034
IAO_0000115: A primary alcohol is a compound in which a hydroxy group, -OH, is attached to a saturated carbon atom which has either three hydrogen atoms attached to it or only one other carbon atom and two hydrogen atoms attached to it.
formula: CH3OR
has alternative id: CHEBI:13676
has alternative id: CHEBI:14887
id: CHEBI:15734
has alternative id: CHEBI:26262
has alternative id: CHEBI:57489
has alternative id: CHEBI:8406
has db xref: KEGG:C00226
has exact synonym: Primary alcohol
has related synonym: a primary alcohol
has OBO namespace: chebi_ontology
has related synonym: primary alcohols
in subset: 3 STAR

formate
type: Class
subclass of: monocarboxylic acid anion
charge: -1
monoisotopicmass: 44.998
mass: 45.01744
IAO_0000115: A monocarboxylic acid anion that is the conjugate base of formic acid. Induces severe metabolic acidosis and ocular injury in human subjects.
inchikey: BDAGIHXWWSANSR-UHFFFAOYSA-M
has db xref: Beilstein:1901205
has db xref: CAS:71-47-6
has alternative id: CHEBI:14276
id: CHEBI:15740
has alternative id: CHEBI:24081
formula: CHO2
has db xref: Gmelin:1006
has related synonym: HCO2 anion
has db xref: HMDB:HMDB0000142
inchi: InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)/p-1
has db xref: KEGG:C00058
has db xref: MetaCyc:FORMATE
has db xref: PMID:17190852
has db xref: PMID:3946945
has db xref: Reaxys:1901205
has db xref: UM-BBD_compID:c0106
has db xref: Wikipedia:Formate
smiles: [H]C([O-])=O
has related synonym: aminate
has OBO namespace: chebi_ontology
has exact synonym: formate
has related synonym: formiate
has related synonym: formic acid, ion(1-)
has related synonym: formylate
has related synonym: hydrogen carboxylate
has related synonym: methanoate
in subset: 3 STAR

hexadecanoic acid
type: Class
subclass of: long-chain fatty acid
subclass of: straight-chain saturated fatty acid
charge: 0
has related synonym: 1-Pentadecanecarboxylic acid
has related synonym: 1-hexyldecanoic acid
has related synonym: 16:00
monoisotopicmass: 256.240
mass: 256.42410
IAO_0000115: A straight-chain, sixteen-carbon, saturated long-chain fatty acid.
has db xref: Beilstein:607489
has related synonym: C16
has related synonym: C16 fatty acid
has related synonym: C16:0
formula: C16H32O2
has db xref: CAS:57-10-3
smiles: CCCCCCCCCCCCCCCC(O)=O
has related synonym: CH3-[CH2]14-COOH
has alternative id: CHEBI:14730
id: CHEBI:15756
has alternative id: CHEBI:233028
has alternative id: CHEBI:24540
has alternative id: CHEBI:24541
has alternative id: CHEBI:24542
has alternative id: CHEBI:24550
has alternative id: CHEBI:29889
has alternative id: CHEBI:35978
has alternative id: CHEBI:44952
has db xref: DrugBank:DB03796
has related synonym: FA 16:0
has db xref: Gmelin:190200
has db xref: HMDB:HMDB0000220
has related synonym: Hexadecanoate
has related synonym: Hexadecylic acid
has related synonym: Hexaectylic acid
inchikey: IPCSVZSSVZVIGE-UHFFFAOYSA-N
inchi: InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)
has db xref: KEGG:C00249
has db xref: KEGG:D05341
has db xref: KNApSAcK:C00001233
has db xref: KNApSAcK:C00030479
has db xref: LIPID_MAPS_instance:LMFA01010001
has db xref: MetaCyc:PALMITATE
has related synonym: PALMITIC ACID
has db xref: PDBeChem:PLM
has db xref: PMID:12492626
has db xref: PMID:15357969
has db xref: PMID:1589452
has db xref: PMID:16509590
has db xref: PMID:16884313
has db xref: PMID:17439666
has db xref: PMID:17502136
has db xref: PMID:20001317
has db xref: PMID:22735334
has db xref: PMID:25584012
has db xref: PMID:28600633
has db xref: PPDB:1336
has related synonym: Palmitate
has related synonym: Palmitic acid
has related synonym: Palmitinic acid
has related synonym: Palmitinsaeure
has related synonym: Pentadecanecarboxylic acid
has db xref: Reaxys:607489
has db xref: Wikipedia:Palmitic_acid
has related synonym: cetylic acid
has OBO namespace: chebi_ontology
has exact synonym: hexadecanoic acid
has related synonym: hexadecoic acid
has related synonym: n-hexadecanoic acid
has related synonym: n-hexadecoic acid
has related synonym: palmitic acid
in subset: 3 STAR

N-acyl-D-amino acid
type: Class
subclass of: N-acyl-amino acid
subclass of: non-proteinogenic amino acid derivative
charge: 0
monoisotopicmass: 101.011
mass: 101.06080
IAO_0000115: Any N-acyl-amino acid in which the amino acid moiety has D configuration.
formula: C3H3NO3R2
has alternative id: CHEBI:12474
id: CHEBI:15778
has alternative id: CHEBI:21631
has alternative id: CHEBI:7224
smiles: OC(=O)[C@@H]([*])NC([*])=O
has OBO namespace: chebi_ontology
in subset: 3 STAR

malonate(2-)
type: Class
subclass of: saturated dicarboxylic acid dianion(2-)
has related synonym: (-)OOC-CH2-COO(-)
charge: -2
monoisotopicmass: 101.995
mass: 102.04558
IAO_0000115: A dicarboxylic acid dianion obtained by the deprotonation of the carboxy groups of malonic acid.
has db xref: Beilstein:3904386
formula: C3H2O4
has db xref: CAS:156-80-9
has alternative id: CHEBI:14563
id: CHEBI:15792
has alternative id: CHEBI:25130
has alternative id: CHEBI:44151
has db xref: DrugBank:DB02201
has db xref: Gmelin:141932
inchi: InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)/p-2
has db xref: KEGG:C00383
has related synonym: MALONATE ION
inchikey: OFOBLEOULBTSOW-UHFFFAOYSA-L
has db xref: PDBeChem:MLI
has db xref: Reaxys:3904386
smiles: [O-]C(=O)CC([O-])=O
has OBO namespace: chebi_ontology
has related synonym: malo
has related synonym: malonate
has related synonym: malonic acid, ion(2-)
has exact synonym: propanedioate
has related synonym: propanedioic acid, ion(2-)
in subset: 3 STAR

(R)-2-hydroxyglutarate(2-)
type: Class
subclass of: 2-hydroxyglutarate(2-)
has exact synonym: (2R)-2-hydroxypentanedioate
has related synonym: (R)-2-hydroxyglutarate
charge: -2
monoisotopicmass: 146.022
mass: 146.09814
IAO_0000115: A 2-hydroxyglutarate(2-) that has (2R)-configuration.
formula: C5H6O5
has alternative id: CHEBI:10974
id: CHEBI:15801
has alternative id: CHEBI:18650
inchikey: HWXBTNAVRSUOJR-GSVOUGTGSA-L
inchi: InChI=1S/C5H8O5/c6-3(5(9)10)1-2-4(7)8/h3,6H,1-2H2,(H,7,8)(H,9,10)/p-2/t3-/m1/s1
has db xref: KEGG:C01087
has db xref: MetaCyc:R-2-HYDROXYGLUTARATE
smiles: O[C@H](CCC([O-])=O)C([O-])=O
has OBO namespace: chebi_ontology
in subset: 3 STAR

isoamylol
type: Class
subclass of: volatile organic compound
subclass of: primary alcohol
subclass of: alkyl alcohol
charge: 0
has related synonym: 1-HYDROXY-3-METHYLBUTANE
has related synonym: 2-methyl-4-butanol
has related synonym: 3-Methylbutanol
has related synonym: 3-methyl-1-butanol
has exact synonym: 3-methylbutan-1-ol
has related synonym: 3-methylbutanol
monoisotopicmass: 88.089
mass: 88.14818
IAO_0000115: An primary alcohol that is butan-1-ol in which a hydrogen at position 3 has been replaced by a methyl group.
has db xref: Beilstein:1718835
formula: C5H12O
has db xref: CAS:123-51-3
smiles: CC(C)CCO
has alternative id: CHEBI:11855
id: CHEBI:15837
has alternative id: CHEBI:1597
has alternative id: CHEBI:20125
has alternative id: CHEBI:43359
has db xref: DrugBank:DB02296
has db xref: Gmelin:49460
has db xref: HMDB:HMDB0006007
inchi: InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3
has related synonym: Iso-amylalkohol
has related synonym: Isoamyl alcohol
has related synonym: Isopentyl alcohol
has related synonym: Isopentylalkohol
has db xref: KEGG:C07328
has db xref: PDBeChem:IP3
inchikey: PHTQWCKDNZKARW-UHFFFAOYSA-N
has db xref: PMID:23043843
has db xref: PMID:23698045
has db xref: PMID:24487533
has db xref: PMID:24767042
has db xref: PMID:24804072
has db xref: PMID:24862930
has db xref: Reaxys:1718835
has db xref: YMDB:YMDB00570
has related synonym: alcool isoamylique
has OBO namespace: chebi_ontology
has related synonym: i-amyl alcohol
has exact synonym: isoamylol
has related synonym: isobutylcarbinol
has related synonym: isopentan-1-ol
has related synonym: isopentanol
has related synonym: primary isoamyl alcohol
in subset: 3 STAR

polypeptide
type: Class
subclass of: peptide
subclass of: macromolecule
IAO_0000115: A peptide containing ten or more amino acid residues.
formula: C4H6N2O3R2(C2H2NOR)n
has alternative id: CHEBI:14860
id: CHEBI:15841
has alternative id: CHEBI:8314
has db xref: KEGG:C00403
has related synonym: Polypeptid
has exact synonym: Polypeptide
has OBO namespace: chebi_ontology
has related synonym: polipeptido
has exact synonym: polypeptides
in subset: 3 STAR

quinine
type: Class
subclass of: cinchona alkaloid
has related synonym: (-)-Quinine
has related synonym: (-)-quinine
has related synonym: (8S,9R)-quinine
has exact synonym: (9R)-6'-methoxy-8alpha-cinchonan-9-ol
has related synonym: (R)-(-)-quinine
has related synonym: (R)-(6-methoxyquinolin-4-yl)((2S,4S,8R)-8-vinylquinuclidin-2-yl)methanol
charge: 0
monoisotopicmass: 324.184
mass: 324.41680
has related synonym: 6'-methoxycinchonidine
IAO_0000115: A cinchona alkaloid that is cinchonidine in which the hydrogen at the 6-position of the quinoline ring is substituted by methoxy.
has db xref: Beilstein:91867
formula: C20H24N2O2
has db xref: CAS:130-95-0
has alternative id: CHEBI:127176
has alternative id: CHEBI:15001
id: CHEBI:15854
has alternative id: CHEBI:26499
has alternative id: CHEBI:355947
has alternative id: CHEBI:569215
has alternative id: CHEBI:602929
has alternative id: CHEBI:8723
has related synonym: Chinin
has db xref: DrugBank:DB00468
has db xref: Drug_Central:4523
inchi: InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19-,20+/m0/s1
has db xref: KEGG:C06526
has db xref: KEGG:D08460
has db xref: KNApSAcK:C00002193
inchikey: LOUPRKONTZGTKE-WZBLMQSHSA-N
has db xref: PMID:10821711
has db xref: PMID:10891117
has db xref: PMID:10937718
has db xref: PMID:11212126
has db xref: PMID:11549443
has db xref: PMID:11728183
has db xref: PMID:11844668
has db xref: PMID:11855978
has db xref: PMID:12127529
has db xref: PMID:12213073
has db xref: PMID:12217353
has db xref: PMID:12477351
has db xref: PMID:12502361
has db xref: PMID:12798326
has db xref: PMID:12873511
has db xref: PMID:14761192
has db xref: PMID:15026051
has db xref: PMID:15027870
has db xref: PMID:15225721
has db xref: PMID:15857133
has db xref: PMID:16524728
has db xref: PMID:16933872
has db xref: PMID:17482816
has db xref: PMID:17506538
has db xref: PMID:17570664
has db xref: PMID:17850126
has db xref: PMID:18348514
has db xref: PMID:18788725
has db xref: PMID:2579237
has db xref: PMID:2657065
has db xref: PMID:7009867
has db xref: PMID:8182707
has exact synonym: Quinine
has db xref: Wikipedia:Quinine
has OBO namespace: chebi_ontology
has related synonym: chinine
has related synonym: chininum
has related synonym: quinina
has exact synonym: quinine
in subset: 3 STAR

bromide
type: Class
subclass of: halide anion
subclass of: monoatomic bromine
charge: -1
monoisotopicmass: 78.918
mass: 79.90400
has related synonym: BROMIDE ION
has db xref: Beilstein:3587179
formula: Br
has related synonym: Br(-)
has related synonym: Br-
has exact synonym: Bromide
has db xref: CAS:24959-67-9
has alternative id: CHEBI:13918
id: CHEBI:15858
has alternative id: CHEBI:3178
has alternative id: CHEBI:49515
inchikey: CPELXLSAUQHCOX-UHFFFAOYSA-M
has db xref: Gmelin:14908
inchi: InChI=1S/BrH/h1H/p-1
has db xref: KEGG:C00720
has db xref: KEGG:C01324
has db xref: PDBeChem:BR
smiles: [Br-]
has exact synonym: bromide
has exact synonym: bromide(1-)
has related synonym: bromine anion
has OBO namespace: chebi_ontology
in subset: 3 STAR

sterol
type: Class
subclass of: 3-hydroxy steroid
charge: 0
monoisotopicmass: 275.237
mass: 275.450
has related synonym: 3-hydroxysteroids
IAO_0000115: Any 3-hydroxy steroid whose skeleton is closely related to cholestan-3-ol (additional carbon atoms may be present in the side chain).
formula: C19H31OR
has alternative id: CHEBI:13688
has alternative id: CHEBI:15114
id: CHEBI:15889
has alternative id: CHEBI:26771
has alternative id: CHEBI:9266
has db xref: KEGG:C00370
has db xref: LIPID_MAPS_class:LMST01
has db xref: MetaCyc:Sterols
has exact synonym: Sterol
has db xref: Wikipedia:Sterol
has related synonym: a sterol
has OBO namespace: chebi_ontology
has exact synonym: sterols
in subset: 3 STAR

taurine
type: Class
subclass of: amino sulfonic acid
charge: 0
monoisotopicmass: 125.015
mass: 125.148
has related synonym: 2-Aminoethanesulfonic acid
has exact synonym: 2-aminoethanesulfonic acid
has related synonym: 2-aminoethyl sulfonate
has related synonym: Aminoethylsulfonic acid
IAO_0000115: An amino sulfonic acid that is the 2-amino derivative of ethanesulfonic acid. It is a naturally occurring amino acid derived from methionine and cysteine metabolism. An abundant component of fish- and meat-based foods, it has been used as an oral supplement in the treatment of disorders such as cystic fibrosis and hypertension.
has db xref: Beilstein:1751215
smiles: C(CS(O)(=O)=O)N
formula: C2H7NO3S
has db xref: CAS:107-35-7
has alternative id: CHEBI:15195
id: CHEBI:15891
has alternative id: CHEBI:26852
has alternative id: CHEBI:45877
has alternative id: CHEBI:9406
has db xref: DrugBank:DB01956
has db xref: Drug_Central:4486
has db xref: Gmelin:82121
has db xref: HMDB:HMDB0000251
inchi: InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)
has db xref: KEGG:C00245
has db xref: KEGG:D00047
has db xref: KNApSAcK:C00048188
has db xref: MetaCyc:TAURINE
has db xref: PDBeChem:TAU
has db xref: PMID:10098958
has db xref: PMID:10325611
has db xref: PMID:10349454
has db xref: PMID:10827156
has db xref: PMID:11162030
has db xref: PMID:11842876
has db xref: PMID:11918831
has db xref: PMID:11931837
has db xref: PMID:12297216
has db xref: PMID:12499349
has db xref: PMID:12834252
has db xref: PMID:14992292
has db xref: PMID:15503229
has db xref: PMID:15780050
has db xref: PMID:15911239
has db xref: PMID:16169526
has db xref: PMID:16444816
has db xref: PMID:16923232
has db xref: PMID:17053427
has db xref: PMID:17081118
has db xref: PMID:17875433
has db xref: PMID:17997039
has db xref: PMID:18060526
has db xref: PMID:18171928
has db xref: PMID:19074966
has db xref: PMID:19212411
has db xref: PMID:19309105
has db xref: PMID:19940987
has db xref: PMID:2122710
has db xref: PMID:21761941
has db xref: PMID:22770225
has db xref: PMID:2370482
has db xref: PMID:24027187
has db xref: PMID:2494044
has db xref: PMID:27291853
has db xref: PMID:27334436
has db xref: PMID:27345710
has db xref: PMID:27380030
has db xref: PMID:27412799
has db xref: PMID:27471162
has db xref: PMID:27535560
has db xref: PMID:3106924
has db xref: PMID:3393260
has db xref: PMID:6198473
has db xref: PMID:7588651
has db xref: PMID:8692051
has db xref: PMID:8818047
has db xref: PMID:9635063
has db xref: Reaxys:1751215
has exact synonym: Taurine

long-chain fatty acid
type: Class
subclass of: fatty acid
charge: 0
monoisotopicmass: 44.998
IAO_0000115: A fatty acid with a chain length ranging from C13 to C22.
has alternative id: CHEBI:13655
has alternative id: CHEBI:14529
id: CHEBI:15904
has alternative id: CHEBI:25075
has alternative id: CHEBI:6528
formula: CHO2R
has related synonym: Higher fatty acid
has db xref: KEGG:C00638
has related synonym: LCFA
has related synonym: LCFAs
has exact synonym: Long-chain fatty acid
smiles: OC([*])=O
has OBO namespace: chebi_ontology
has related synonym: long-chain fatty acids
in subset: 3 STAR

ribitol
type: Class
subclass of: pentitol
has exact synonym: (2R,3s,4S)-pentane-1,2,3,4,5-pentol
has related synonym: (2R,3s,4S)-pentane-1,2,3,4,5-pentol
charge: 0
monoisotopicmass: 152.068
mass: 152.14578
IAO_0000115: A pentitol (five-carbon sugar alcohol) having meso-configuration, being derived from ribose by reduction of the carbonyl group. It occurs naturally in the plant Adonis vernalis.
has related synonym: Adonitol
has db xref: Beilstein:1720524
formula: C5H12O5
has db xref: CAS:488-81-3
has alternative id: CHEBI:15043
id: CHEBI:15963
has alternative id: CHEBI:21074
has alternative id: CHEBI:26552
has alternative id: CHEBI:27854
has alternative id: CHEBI:4230
has alternative id: CHEBI:48505
has alternative id: CHEBI:57591
has alternative id: CHEBI:8841
has related synonym: D-Adonitol
has related synonym: D-Ribitol
has related synonym: D-ribitol
has db xref: Gmelin:82894
inchikey: HEBKCHPVOIAQTA-ZXFHETKHSA-N
has db xref: HMDB:HMDB0000508
inchi: InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4+,5-
has db xref: KEGG:C00474
has db xref: KNApSAcK:C00001171
has related synonym: L-ribitol
has db xref: MetaCyc:RIBITOL
smiles: OC[C@H](O)[C@H](O)[C@H](O)CO
has db xref: PMID:15234337
has db xref: PMID:16664320
has db xref: PMID:16901854
has db xref: PMID:17336832
has db xref: PMID:17979222
has db xref: PMID:23564164
has db xref: PMID:24643482
has db xref: PMID:25108762
has db xref: Reaxys:1720524
has exact synonym: Ribitol
has db xref: Wikipedia:Ribitol
has OBO namespace: chebi_ontology
has exact synonym: meso-ribitol
in subset: 3 STAR

D-glutamic acid
type: Class
subclass of: D-alpha-amino acid
subclass of: glutamic acid
has exact synonym: (2R)-2-aminopentanedioic acid
has related synonym: (R)-2-aminopentanedioic acid
charge: 0
monoisotopicmass: 147.053
mass: 147.12930
IAO_0000115: An optically active form of glutamic acid having D-configuration.
has db xref: Beilstein:1723800
formula: C5H9NO4
has db xref: CAS:6893-26-1
id: CHEBI:15966
has alternative id: CHEBI:21023
has alternative id: CHEBI:4183
has related synonym: D-2-Aminoglutaric acid
has exact synonym: D-Glutamic acid
has related synonym: D-Glutaminic acid
has related synonym: D-Glutaminsaeure
has exact synonym: D-glutamic acid
has related synonym: DGL
has db xref: DrugBank:DB02517
has db xref: Gmelin:201189
has db xref: HMDB:HMDB0003339
inchi: InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1
has db xref: KEGG:C00217
has db xref: KNApSAcK:C00019577
has db xref: MetaCyc:D-GLT
smiles: N[C@H](CCC(O)=O)C(O)=O
has db xref: PDBeChem:DGL
has db xref: Reaxys:1723800
inchikey: WHUUTDBJXJRKMK-GSVOUGTGSA-N
has OBO namespace: chebi_ontology
has related synonym: glutamic acid D-form
in subset: 3 STAR

polynucleotide
type: Class
subclass of: information biomacromolecule
subclass of: nucleobase-containing molecular entity
subclass of: Restriction
  on property: has part
  some values from: nucleotide residue
formula: (C5H8O6PR)n.C10H17O10PR2
charge: 0
IAO_0000115: A nucleobase-containing molecular entity with a polymeric structure comprised of a linear sequence of 13 or more nucleotide residues.
has alternative id: CHEBI:13672
has alternative id: CHEBI:14859
id: CHEBI:15986
has alternative id: CHEBI:8312
has db xref: KEGG:C00419
has exact synonym: Polynucleotide
has OBO namespace: chebi_ontology
has related synonym: polynucleotides
in subset: 3 STAR

(4-hydroxyphenyl)pyruvic acid
type: Class
subclass of: oxo carboxylic acid
subclass of: phenols
has related synonym: (p-hydroxyphenyl)pyruvic acid
charge: 0
monoisotopicmass: 180.042
mass: 180.15742
has related synonym: 3-(4-HYDROXY-PHENYL)PYRUVIC ACID
has exact synonym: 3-(4-hydroxyphenyl)-2-oxopropanoic acid
has related synonym: 3-(4-hydroxyphenyl)pyruvic acid
has related synonym: 3-(p-hydroxyphenyl)-2-oxopropanoic acid
has related synonym: 4-hydroxy alpha-oxobenzenepropanoic acid
has related synonym: 4-hydroxyphenylpyruvic acid
IAO_0000115: An oxo carboxylic acid that is pyruvic acid in which one of the methyl hydrogens is substituted by a 4-hydroxyphenyl group.
has db xref: Beilstein:2691632
formula: C9H8O4
has db xref: CAS:156-39-8
has alternative id: CHEBI:1431
id: CHEBI:15999
has alternative id: CHEBI:20426
has alternative id: CHEBI:42422
has db xref: DrugBank:DB07718
has db xref: HMDB:HMDB0000707
inchi: InChI=1S/C9H8O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,10H,5H2,(H,12,13)
has db xref: KEGG:C01179
inchikey: KKADPXVIOXHVKN-UHFFFAOYSA-N
has db xref: KNApSAcK:C00007512
has db xref: MetaCyc:P-HYDROXY-PHENYLPYRUVATE
smiles: OC(=O)C(=O)Cc1ccc(O)cc1
has db xref: PDBeChem:ENO
has db xref: PMID:11073718
has db xref: PMID:9106023
has db xref: Reaxys:2691632
has OBO namespace: chebi_ontology
has related synonym: p-Hydroxyphenylpyruvic acid
in subset: 3 STAR

(R)-lactate
type: Class
subclass of: lactate
has exact synonym: (2R)-2-hydroxypropanoate
has exact synonym: (R)-lactate
charge: -1
monoisotopicmass: 89.024
mass: 89.07000
IAO_0000115: An optically active form of lactate having (R)-configuration.
has db xref: Beilstein:4655978
formula: C3H5O3
has alternative id: CHEBI:11001
id: CHEBI:16004
has alternative id: CHEBI:18684
smiles: C[C@@H](O)C([O-])=O
has related synonym: D-2-hydroxypropanoate
has related synonym: D-2-hydroxypropionate
has related synonym: D-lactate
has db xref: Gmelin:362716
inchi: InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m1/s1
inchikey: JVTAAEKCZFNVCJ-UWTATZPHSA-M
has db xref: KEGG:C00256
has db xref: MetaCyc:D-LACTATE
has db xref: Reaxys:4655978
has OBO namespace: chebi_ontology
in subset: 3 STAR

5-oxoproline
type: Class
subclass of: oxoproline
subclass of: pyrrolidinemonocarboxylic acid
subclass of: pyrrolidin-2-ones
charge: 0
monoisotopicmass: 129.043
mass: 129.11400
has related synonym: 2-pyrrolidone-5-carboxylic acid
has exact synonym: 5-OXOPROLINE
has exact synonym: 5-Oxoproline
has related synonym: 5-Pyrrolidone-2-carboxylic acid
has related synonym: 5-oxo-DL-proline
has exact synonym: 5-oxoproline
has exact synonym: 5-oxopyrrolidine-2-carboxylic acid
IAO_0000115: An oxoproline having the oxo group placed at the 5-position. It is an intermediate metabolite in the glutathione cycle.
has db xref: Beilstein:82131
formula: C5H7NO3
has db xref: CAS:149-87-1
has alternative id: CHEBI:12157
id: CHEBI:16010
has alternative id: CHEBI:20624
has alternative id: CHEBI:2116
has alternative id: CHEBI:44943
has related synonym: Glp
inchi: InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)
smiles: OC(=O)C1CCC(=O)N1
inchikey: ODHCTXKNWHHXJC-UHFFFAOYSA-N
has db xref: PMID:17439666
has db xref: PMID:22770225
has db xref: PMID:23217740
has related synonym: Pyroglutamate
has related synonym: Pyroglutamic acid
has db xref: Reaxys:82131
has db xref: Wikipedia:Pyroglutamic_acid
has OBO namespace: chebi_ontology
in subset: 3 STAR

L-glutamic acid
type: Class
subclass of: L-alpha-amino acid
subclass of: glutamic acid
subclass of: glutamine family amino acid
subclass of: proteinogenic amino acid
has exact synonym: (2S)-2-aminopentanedioic acid
has related synonym: (S)-2-aminopentanedioic acid
has related synonym: (S)-glutamic acid
charge: 0
monoisotopicmass: 147.053
mass: 147.12930
IAO_0000115: An optically active form of glutamic acid having L-configuration.
has db xref: BPDB:2297
has db xref: Beilstein:1723801
formula: C5H9NO4
has db xref: CAS:56-86-0
id: CHEBI:16015
has alternative id: CHEBI:21304
has alternative id: CHEBI:42825
has alternative id: CHEBI:6224
has db xref: DrugBank:DB00142
has db xref: Drug_Central:1310
has related synonym: E
has related synonym: GLUTAMIC ACID
has related synonym: Glu
has related synonym: Glutamate
has db xref: Gmelin:3502
has db xref: HMDB:HMDB0000148
inchi: InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
has db xref: KEGG:C00025
has db xref: KEGG:D00007
has db xref: KNApSAcK:C00001358
has related synonym: L-Glu
has exact synonym: L-Glutamic acid
has related synonym: L-Glutaminic acid
has related synonym: L-Glutaminsaeure
has exact synonym: L-glutamic acid
has db xref: LINCS:LSM-36375
has db xref: MetaCyc:GLT
smiles: N[C@@H](CCC(O)=O)C(O)=O
has db xref: PDBeChem:GLU_LFOH
has db xref: PMID:15739367
has db xref: PMID:15930465
has db xref: PMID:16719819
has db xref: PMID:16892196
has db xref: PMID:19581495
has db xref: PMID:22219301
has db xref: PMID:22735334
has db xref: Reaxys:1723801
inchikey: WHUUTDBJXJRKMK-VKHMYHEASA-N
has db xref: Wikipedia:L-Glutamic_Acid
has related synonym: acide glutamique
has related synonym: acido glutamico
has related synonym: acidum glutamicum
has OBO namespace: chebi_ontology
has related synonym: glutamic acid
in subset: 3 STAR

D-mannose
type: Class
subclass of: D-aldohexose
subclass of: mannose
charge: 0
mass: 180.15588
IAO_0000115: A mannose with D-configuration.
formula: C6H12O6
has alternative id: CHEBI:12999
id: CHEBI:16024
has alternative id: CHEBI:21057
has exact synonym: D-manno-hexose
has exact synonym: D-mannose
has OBO namespace: chebi_ontology
in subset: 3 STAR

halide anion
type: Class
subclass of: monoatomic monoanion
subclass of: monovalent inorganic anion
charge: -1
mass: 0.0
monoisotopicmass: 0.0
IAO_0000115: A monoatomic monoanion resulting from the addition of an electron to any halogen atom.
has alternative id: CHEBI:14384
id: CHEBI:16042
has alternative id: CHEBI:5605
has related synonym: HX
has related synonym: Halide
has db xref: KEGG:C00462
formula: X
smiles: [*-]
has related synonym: a halide anion
has OBO namespace: chebi_ontology
has related synonym: halide anions
has exact synonym: halide ions
has related synonym: halide(1-)
has related synonym: halides
has related synonym: halogen anion
in subset: 3 STAR

1,5-anhydro-D-glucitol
type: Class
subclass of: anhydro sugar
has exact synonym: (2R,3S,4R,5S)-2-(hydroxymethyl)oxane-3,4,5-triol
charge: 0
has related synonym: 1,5-ANHYDROSORBITOL
has exact synonym: 1,5-Anhydro-D-glucitol
has related synonym: 1,5-Anhydro-D-sorbitol
has related synonym: 1,5-Anhydroglucitol
has exact synonym: 1,5-anhydro-D-glucitol
has related synonym: 1,5-anhydro-D-sorbitol
has related synonym: 1,5-anhydroglucitol
monoisotopicmass: 164.068
mass: 164.15648
IAO_0000115: An anhydro sugar of D-glucitol.
formula: C6H12O5
has db xref: CAS:154-58-5
has alternative id: CHEBI:11176
id: CHEBI:16070
has alternative id: CHEBI:18943
has alternative id: CHEBI:40816
has alternative id: CHEBI:550
has db xref: HMDB:HMDB0002712
inchi: InChI=1S/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2/t3-,4+,5+,6+/m0/s1
has db xref: KEGG:C07326
inchikey: MPCAJMNYNOGXPB-SLPGGIOYSA-N
smiles: OC[C@H]1OC[C@H](O)[C@@H](O)[C@@H]1O
has db xref: PDBeChem:ASO
has db xref: PMID:15277408
has db xref: PMID:18492944
has db xref: PMID:19796288
has db xref: Reaxys:80736
has db xref: Wikipedia:1,5-Anhydroglucitol
has OBO namespace: chebi_ontology
in subset: 3 STAR

gamma-amino-beta-hydroxybutyric acid
type: Class
subclass of: gamma-amino acid
subclass of: 3-hydroxy monocarboxylic acid
charge: 0
monoisotopicmass: 119.058
mass: 119.11920
has related synonym: 3-hydroxy-GABA
has related synonym: 4-Amino-3-hydroxybutanoic acid
has exact synonym: 4-amino-3-hydroxybutanoic acid
has related synonym: 4-amino-3-hydroxybutyric acid
IAO_0000115: A gamma-amino acid comprising 4-aminobutyric acid having a 2-hydroxy substituent.
has db xref: Beilstein:1721708
has db xref: Beilstein:1752568
formula: C4H9NO3
has db xref: CAS:352-21-6
id: CHEBI:16080
has alternative id: CHEBI:1780
has alternative id: CHEBI:20311
has db xref: Drug_Central:1263
has related synonym: GABOB
inchi: InChI=1S/C4H9NO3/c5-2-3(6)1-4(7)8/h3,6H,1-2,5H2,(H,7,8)
has db xref: KEGG:C03678
has db xref: KEGG:D00174
smiles: NCC(O)CC(O)=O
inchikey: YQGDEPYYFWUPGO-UHFFFAOYSA-N
has OBO namespace: chebi_ontology
has exact synonym: gamma-Amino-beta-hydroxybutyric acid
has exact synonym: gamma-amino-beta-hydroxybutyric acid
in subset: 3 STAR

thiosulfate(2-)
type: Class
subclass of: sulfur oxoanion
subclass of: sulfur oxide
subclass of: divalent inorganic anion
charge: -2
monoisotopicmass: 111.929
mass: 112.13020
IAO_0000115: A divalent inorganic anion obtained by removal of both protons from thiosulfuric acid.
has db xref: CAS:14383-50-7
has alternative id: CHEBI:15242
id: CHEBI:16094
has alternative id: CHEBI:45922
has alternative id: CHEBI:9569
inchikey: DHCDFWKWKRSZHF-UHFFFAOYSA-L
has db xref: Gmelin:2031
has related synonym: Hyposulfite
inchi: InChI=1S/H2O3S2/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
formula: O3S2
has db xref: PDBeChem:THJ
has related synonym: S2O3
has related synonym: S2O3(2-)
has related synonym: TETRATHIONATE
has related synonym: Thiosulfate
smiles: [O-]S([S-])(=O)=O
has related synonym: [SO3S](2-)
has OBO namespace: chebi_ontology
has exact synonym: sulfurothioate
has exact synonym: thiosulfate
has related synonym: thiosulfate ion(2-)
has related synonym: thiosulphate
has related synonym: trioxido-1kappa(3)O-disulfate(S--S)(2-)
has exact synonym: trioxidosulfidosulfate(2-)
in subset: 3 STAR

cholesterol
type: Class
subclass of: C27-steroid
subclass of: 3beta-hydroxy-Delta(5)-steroid
subclass of: 3beta-sterol
subclass of: cholestanoid
has related synonym: (3beta,14beta,17alpha)-cholest-5-en-3-ol
charge: 0
monoisotopicmass: 386.355
mass: 386.655
IAO_0000115: A cholestanoid consisting of cholestane having a double bond at the 5,6-position as well as a 3beta-hydroxy group.
has db xref: Beilstein:2060565
formula: C27H46O
has db xref: CAS:57-88-5
has alternative id: CHEBI:13982
id: CHEBI:16113
has alternative id: CHEBI:23204
has alternative id: CHEBI:3659
has alternative id: CHEBI:41564
has exact synonym: CHOLESTEROL
has related synonym: Cholest-5-en-3beta-ol
has related synonym: Cholesterin
has exact synonym: Cholesterol
has db xref: DrugBank:DB04540
has db xref: Gmelin:550297
has db xref: HMDB:HMDB0000067
inchikey: HVYWMOMLDIMFJA-DPAQBDIFSA-N
inchi: InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
has db xref: KEGG:C00187
has db xref: KEGG:D00040
has db xref: KNApSAcK:C00003648
has db xref: LIPID_MAPS_instance:LMST01010001
has db xref: MetaCyc:CHOLESTEROL
has db xref: PDBeChem:CLR
has db xref: PMID:10901445
has db xref: PMID:11412894
has db xref: PMID:16341241
has db xref: PMID:24287311
has db xref: PMID:25308664
has db xref: PMID:25451949
has db xref: PMID:25522988
has db xref: PMID:25658343
has db xref: PMID:25977713
has db xref: PMID:4696527
has db xref: PMID:8838010
has db xref: Reaxys:2060565
has db xref: Wikipedia:Cholesterol
has OBO namespace: chebi_ontology
has exact synonym: cholest-5-en-3beta-ol
has exact synonym: cholesterol
in subset: 3 STAR

cyclopentanol
type: Class
subclass of: cyclopentanols
charge: 0
monoisotopicmass: 86.073
mass: 86.13230
formula: C5H10O
has db xref: CAS:96-41-3
has alternative id: CHEBI:14057
id: CHEBI:16133
has alternative id: CHEBI:23494
has alternative id: CHEBI:4022
has exact synonym: Cyclopentanol
has related synonym: Cyclopentyl alcohol
has related synonym: Hydroxycyclopentane
inchi: InChI=1S/C5H10O/c6-5-3-1-2-4-5/h5-6H,1-4H2
has db xref: KEGG:C02020
has db xref: MetaCyc:CYCLOPENTANOL
smiles: OC1CCCC1
has db xref: PMID:22145629
has db xref: PMID:24273356
has db xref: Reaxys:1900556
IAO_0000115: The simplest member of the class of cyclopentanols bearing a single hydroxy substituent. The parent of the class of cyclopentanols.
has db xref: Wikipedia:Cyclopentanol
inchikey: XCIXKGXIYUWCLL-UHFFFAOYSA-N
has OBO namespace: chebi_ontology
has exact synonym: cyclopentanol
in subset: 3 STAR

ammonia
type: Class
subclass of: gas molecular entity
subclass of: azane
subclass of: mononuclear parent hydride
charge: 0
monoisotopicmass: 17.027
mass: 17.03056
has exact synonym: AMMONIA
has exact synonym: Ammonia
has related synonym: Ammoniak
IAO_0000115: An azane that consists of a single nitrogen atom covelently bonded to three hydrogen atoms.
has db xref: Beilstein:3587154
has db xref: CAS:7664-41-7
has alternative id: CHEBI:13405
has alternative id: CHEBI:13406
has alternative id: CHEBI:13407
has alternative id: CHEBI:13771
id: CHEBI:16134
has alternative id: CHEBI:22533
has alternative id: CHEBI:44269
has alternative id: CHEBI:44284
has alternative id: CHEBI:44404
has alternative id: CHEBI:7434
has db xref: Drug_Central:4625
has db xref: Gmelin:79
formula: H3N
has db xref: HMDB:HMDB0000051
inchi: InChI=1S/H3N/h1H3
has db xref: KEGG:C00014
has db xref: KEGG:D02916
has db xref: KNApSAcK:C00007267
has db xref: MetaCyc:AMMONIA
has db xref: MolBase:930
has related synonym: NH3
has db xref: PDBeChem:NH3
has db xref: PMID:110589
has db xref: PMID:11139349
has db xref: PMID:11540049
has db xref: PMID:11746427
has db xref: PMID:11783653
has db xref: PMID:13753780
has db xref: PMID:14663195
has db xref: PMID:15092448
has db xref: PMID:15094021
has db xref: PMID:15554424
has db xref: PMID:15969015
has db xref: PMID:16008360
has db xref: PMID:16050680
has db xref: PMID:16348008
has db xref: PMID:16349403
has db xref: PMID:16614889
has db xref: PMID:16664306
has db xref: PMID:16842901
has db xref: PMID:17025297
has db xref: PMID:17439666
has db xref: PMID:17569513
has db xref: PMID:17737668
has db xref: PMID:18670398
has db xref: PMID:22002069
has db xref: PMID:22081570
has db xref: PMID:22088435
has db xref: PMID:22100291
has db xref: PMID:22130175
has db xref: PMID:22150211
has db xref: PMID:22240068
has db xref: PMID:22290316
has db xref: PMID:22342082
has db xref: PMID:22385337
has db xref: PMID:22443779
has db xref: PMID:22560242
inchikey: QGZKDVFQNNGYKY-UHFFFAOYSA-N
has related synonym: R-717
has db xref: Reaxys:3587154
has db xref: Wikipedia:Ammonia
smiles: [H]N([H])[H]
has related synonym: [NH3]
has exact synonym: ammonia
has related synonym: ammoniac
has related synonym: amoniaco

isobutyric acid
type: Class
subclass of: fatty acid 4:0
subclass of: branched-chain saturated fatty acid
subclass of: methyl-branched fatty acid
charge: 0
has related synonym: 2,2-dimethylacetic acid
has related synonym: 2-METHYL-PROPIONIC ACID
has related synonym: 2-Methylpropanoate
has related synonym: 2-Methylpropanoic acid
has related synonym: 2-Methylpropionsaeure
has exact synonym: 2-methylpropanoic acid
monoisotopicmass: 88.052
mass: 88.10512
IAO_0000115: A branched fatty acid comprising propanoic acid carrying a methyl branch at C-2.
has db xref: BPDB:3128
has db xref: Beilstein:635770
formula: C4H8O2
has db xref: CAS:79-31-2
smiles: CC(C)C(O)=O
has alternative id: CHEBI:1212
id: CHEBI:16135
has alternative id: CHEBI:19710
has alternative id: CHEBI:25337
has alternative id: CHEBI:40653
has alternative id: CHEBI:43397
has related synonym: Dimethylacetic acid
has db xref: DrugBank:DB02531
has db xref: Gmelin:49630
has db xref: HMDB:HMDB0001873
has exact synonym: ISOBUTYRIC ACID
inchi: InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)
has related synonym: Isobutanoate
has related synonym: Isobuttersaeure
has related synonym: Isobutyrate
has exact synonym: Isobutyric acid
has db xref: KEGG:C02632
has db xref: KNApSAcK:C00029462
inchikey: KQNPFQTWMSNSAP-UHFFFAOYSA-N
has db xref: LIPID_MAPS_instance:LMFA01020071
has db xref: MetaCyc:ISOBUTYRATE
has db xref: PDBeChem:ALQ
has db xref: PDBeChem:ISB
has db xref: PMID:10757489
has db xref: PMID:17580301
has db xref: PMID:17877388
has db xref: PPDB:3128
has db xref: Reaxys:635770
has db xref: UM-BBD_compID:c0383
has db xref: Wikipedia:Isobutyric_acid
has related synonym: alpha-isobutyric acid
has related synonym: alpha-methylpropanoic acid
has related synonym: alpha-methylpropionic acid
has OBO namespace: chebi_ontology
has related synonym: iso-C3H7COOH
has related synonym: iso-butyric acid
has related synonym: isobutanoic acid
has related synonym: isopropylformic acid
in subset: 3 STAR

hydrogen sulfide
type: Class
subclass of: gas molecular entity
subclass of: hydracid
subclass of: sulfur hydride
subclass of: mononuclear parent hydride
charge: 0
monoisotopicmass: 33.988
mass: 34.08188
IAO_0000115: A sulfur hydride consisting of a single sulfur atom bonded to two hydrogen atoms. A highly poisonous, flammable gas with a characteristic odour of rotten eggs, it is often produced by bacterial decomposition of organic matter in the absence of oxygen.
has db xref: Beilstein:3535004
has db xref: CAS:7783-06-4
has alternative id: CHEBI:13356
has alternative id: CHEBI:14414
id: CHEBI:16136
has alternative id: CHEBI:24639
has alternative id: CHEBI:43058
has alternative id: CHEBI:45489
has alternative id: CHEBI:5787
has db xref: Drug_Central:4260
has db xref: Gmelin:303
has related synonym: H2S
formula: H2S
has related synonym: HYDROSULFURIC ACID
has exact synonym: Hydrogen sulfide
has related synonym: Hydrogen-sulfide
inchi: InChI=1S/H2S/h1H2
has db xref: KEGG:C00283
has db xref: KNApSAcK:C00007266
has db xref: MolBase:1709
has db xref: PDBeChem:H2S
has db xref: PMID:11788560
has db xref: PMID:14654297
has db xref: PMID:15003943
has db xref: PMID:15607739
has db xref: PMID:16446402
has db xref: PMID:18098324
has db xref: PMID:18524810
has db xref: PMID:18948540
has db xref: PMID:19695225
has db xref: PMID:22004989
has db xref: PMID:22378060
has db xref: PMID:22448627
has db xref: PMID:22473176
has db xref: PMID:22486842
has db xref: PMID:22520971
has db xref: PMID:22787557
inchikey: RWSOTUBLDIXVET-UHFFFAOYSA-N
has related synonym: Schwefelwasserstoff
has related synonym: Sulfide
has db xref: UM-BBD_compID:c0239
has db xref: Wikipedia:Hydrogen_sulfide
smiles: [H]S[H]
has related synonym: [SH2]
has related synonym: acide sulfhydrique
has OBO namespace: chebi_ontology
has exact synonym: dihydridosulfur
has related synonym: dihydrogen monosulfide
has related synonym: dihydrogen sulfide
has exact synonym: dihydrogen(sulfide)
has related synonym: hydrogen monosulfide
has exact synonym: hydrogen sulfide
has related synonym: hydrogen sulphide
has related synonym: hydrogene sulfure
has exact synonym: sulfane
has related synonym: sulfure d'hydrogene
in subset: 3 STAR

chondroitin D-glucuronate
type: Class
subclass of: mucopolysaccharide
formula: (C14H21NO11)nH2O
mass: 0.0
IAO_0000115: A mucopolysaccharide composed of repeating beta-D-glucopyranuronosyl-(1->3)-beta-D-N-acetylgalactosaminyl units.
has alternative id: CHEBI:13989
has alternative id: CHEBI:13992
id: CHEBI:16137
has alternative id: CHEBI:23221
has alternative id: CHEBI:3673
has related synonym: Chondroitin
has related synonym: Chondroitin-D-glucuronate
has db xref: KEGG:C00401
has db xref: KEGG:G11334
has OBO namespace: chebi_ontology
has related synonym: chondroitin D-glucuronic acid
in subset: 3 STAR

retinyl ester
type: Class
subclass of: retinoid
subclass of: carboxylic ester
charge: 0
monoisotopicmass: 313.217
mass: 313.45380
IAO_0000115: A carboxylic ester obtained by formal condensation of the hydroxy group of retinol with the carboxy group of any carboxylic acid.
formula: C21H29O2R
has alternative id: CHEBI:15039
id: CHEBI:16179
has alternative id: CHEBI:26540
has alternative id: CHEBI:8818
has exact synonym: Retinyl ester
has OBO namespace: chebi_ontology
has exact synonym: retinyl ester
has related synonym: retinyl esters
in subset: 3 STAR

N-acylglycine
type: Class
subclass of: secondary carboxamide
subclass of: glycine derivative
subclass of: N-acyl-amino acid
charge: 0
monoisotopicmass: 102.019
mass: 102.06880
IAO_0000115: An N-acyl-amino acid in which amino acid specified is glycine.
formula: C3H4NO3R
has alternative id: CHEBI:12484
id: CHEBI:16180
has alternative id: CHEBI:21660
has alternative id: CHEBI:7238
has db xref: KEGG:C02055
has db xref: MetaCyc:CPD-426
has exact synonym: N-Acylglycine
smiles: OC(=O)CNC([*])=O
has OBO namespace: chebi_ontology
in subset: 3 STAR

methane
type: Class
subclass of: gas molecular entity
subclass of: alkane
subclass of: mononuclear parent hydride
subclass of: one-carbon compound
charge: 0
monoisotopicmass: 16.031
mass: 16.04246
IAO_0000115: A one-carbon compound in which the carbon is attached by single bonds to four hydrogen atoms. It is a colourless, odourless, non-toxic but flammable gas (b.p. -161degreeC).
has db xref: Beilstein:1718732
has db xref: CAS:74-82-8
has related synonym: CH4
formula: CH4
has alternative id: CHEBI:14585
id: CHEBI:16183
has alternative id: CHEBI:25220
has alternative id: CHEBI:6811
has db xref: Gmelin:59
has db xref: HMDB:HMDB0002714
inchi: InChI=1S/CH4/h1H4
has db xref: KEGG:C01438
has db xref: MetaCyc:CH4
has related synonym: Methan
has exact synonym: Methane
has db xref: PDBeChem:CH3
has db xref: PMID:17791569
has db xref: PMID:23104415
has db xref: PMID:23353606
has db xref: PMID:23376302
has db xref: PMID:23397538
has db xref: PMID:23718889
has db xref: PMID:23739479
has db xref: PMID:23742231
has db xref: PMID:23756351
has db xref: PMID:24132456
has db xref: PMID:24161402
has db xref: PMID:24259373
has db xref: Patent:FR994032
has db xref: Patent:US2583090
has db xref: Reaxys:1718732
has db xref: UM-BBD_compID:c0095
inchikey: VNWKTOKETHGBQD-UHFFFAOYSA-N
has db xref: Wikipedia:Methane
smiles: [H]C([H])([H])[H]
has OBO namespace: chebi_ontology
has related synonym: marsh gas
has related synonym: metano
has exact synonym: methane
has related synonym: methyl hydride
has exact synonym: tetrahydridocarbon
in subset: 3 STAR

sulfate
type: Class
subclass of: inorganic anion
subclass of: sulfur oxoanion
subclass of: sulfur oxide
subclass of: divalent inorganic anion
charge: -2
monoisotopicmass: 95.952
mass: 96.06360
IAO_0000115: A sulfur oxoanion obtained by deprotonation of both OH groups of sulfuric acid.
has db xref: Beilstein:3648446
has db xref: CAS:14808-79-8
has alternative id: CHEBI:15135
id: CHEBI:16189
has alternative id: CHEBI:45687
has alternative id: CHEBI:9335
has db xref: Gmelin:2120
has db xref: HMDB:HMDB0001448
inchi: InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
has db xref: KEGG:C00059
has db xref: KEGG:D05963
has db xref: MetaCyc:SULFATE
formula: O4S
has db xref: PDBeChem:SO4
has db xref: PMID:11200094
has db xref: PMID:11452993
has db xref: PMID:11581495
has db xref: PMID:11798107
has db xref: PMID:12166931
has db xref: PMID:12668033
has db xref: PMID:14597181
has db xref: PMID:15093386
has db xref: PMID:15984785
has db xref: PMID:16186560
has db xref: PMID:16345535
has db xref: PMID:16347366
has db xref: PMID:16348007
has db xref: PMID:16483812
has db xref: PMID:16534979
has db xref: PMID:16656509
has db xref: PMID:16742508
has db xref: PMID:16742518
has db xref: PMID:17120760
has db xref: PMID:17420092
has db xref: PMID:17439666
has db xref: PMID:17709180
has db xref: PMID:18398178
has db xref: PMID:18815700
has db xref: PMID:18846414
has db xref: PMID:19047345
has db xref: PMID:19244483
has db xref: PMID:19544990
has db xref: PMID:19628332
has db xref: PMID:19812358
inchikey: QAOWNCQODCNURD-UHFFFAOYSA-L
has db xref: Reaxys:3648446
has related synonym: SO4(2-)
has related synonym: SULFATE ION
has exact synonym: Sulfate
has related synonym: Sulfate anion(2-)
has related synonym: Sulfate dianion
has related synonym: Sulfate(2-)
has related synonym: Sulfuric acid ion(2-)
has db xref: Wikipedia:Sulfate
smiles: [O-]S([O-])(=O)=O
has related synonym: [SO4](2-)
has OBO namespace: chebi_ontology
has exact synonym: sulfate
has related synonym: sulphate
has related synonym: sulphate ion
has exact synonym: tetraoxidosulfate(2-)
has exact synonym: tetraoxosulfate(2-)
has exact synonym: tetraoxosulfate(VI)
in subset: 3 STAR

urea
type: Class
subclass of: monocarboxylic acid amide
subclass of: one-carbon compound
charge: 0
has related synonym: 1728
monoisotopicmass: 60.032
mass: 60.05534
IAO_0000115: A carbonyl group with two C-bound amine groups.
has db xref: Beilstein:635724
has db xref: CAS:57-13-6
formula: CH4N2O
has alternative id: CHEBI:15292
id: CHEBI:16199
has alternative id: CHEBI:27218
has alternative id: CHEBI:46379
has alternative id: CHEBI:9888
has related synonym: Carbamide
has db xref: DrugBank:DB03904
has db xref: Drug_Central:4264
has related synonym: E927b
has db xref: ECMDB:ECMDB04172
has db xref: Gmelin:1378
has related synonym: H2NC(O)NH2
has db xref: HMDB:HMDB0000294
has related synonym: Harnstoff
inchi: InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)
has db xref: KEGG:C00086
has db xref: KEGG:D00023
has db xref: KNApSAcK:C00007314
has related synonym: Karbamid
has db xref: MetaCyc:UREA
smiles: NC(N)=O
has db xref: PDBeChem:URE
has db xref: PMID:18037357
has db xref: PMID:22770225
has db xref: PPDB:1728
has db xref: Reaxys:635724
has db xref: UM-BBD_compID:c0165
has exact synonym: UREA
has exact synonym: Urea
has db xref: Wikipedia:Urea
inchikey: XSQUKJJJFZCRTK-UHFFFAOYSA-N
has db xref: YMDB:YMDB00003
has related synonym: carbamide
has related synonym: carbonyldiamide
has OBO namespace: chebi_ontology
has related synonym: ur
has exact synonym: urea
has related synonym: uree
in subset: 3 STAR

hydroxide
type: Class
subclass of: oxygen hydride
charge: -1
monoisotopicmass: 17.003
mass: 17.00734
has db xref: CAS:14280-30-9
has alternative id: CHEBI:13365
has alternative id: CHEBI:13419
id: CHEBI:16234
has alternative id: CHEBI:44641
has alternative id: CHEBI:5594
has db xref: Gmelin:24714
formula: HO
has related synonym: HO-
has related synonym: HYDROXIDE ION
has related synonym: Hydroxide ion
inchi: InChI=1S/H2O/h1H2/p-1
has db xref: KEGG:C01328
has related synonym: OH(-)
has related synonym: OH-
has db xref: PDBeChem:OH
inchikey: XLYOFNOQVPJJNP-UHFFFAOYSA-M
smiles: [O-][H]
has OBO namespace: chebi_ontology
has exact synonym: hydridooxygenate(1-)
has exact synonym: hydroxide
has exact synonym: oxidanide
in subset: 3 STAR

ethanol
type: Class
subclass of: volatile organic compound
subclass of: primary alcohol
subclass of: ethanols
subclass of: alkyl alcohol
charge: 0
has related synonym: 1-hydroxyethane
monoisotopicmass: 46.042
mass: 46.06844
IAO_0000115: A primary alcohol that is ethane in which one of the hydrogens is substituted by a hydroxy group.
has related synonym: Aethanol
has related synonym: Aethylalkohol
has related synonym: Alkohol
has db xref: Beilstein:1718733
has related synonym: C2H5OH
formula: C2H6O
has db xref: CAS:64-17-5
smiles: CCO
has alternative id: CHEBI:14222
id: CHEBI:16236
has alternative id: CHEBI:23978
has alternative id: CHEBI:30878
has alternative id: CHEBI:30880
has alternative id: CHEBI:42377
has alternative id: CHEBI:44594
has alternative id: CHEBI:4879
has related synonym: Dehydrated ethanol
has db xref: DrugBank:DB00898
has db xref: Drug_Central:1076
has exact synonym: ETHANOL
has related synonym: EtOH
has exact synonym: Ethanol
has related synonym: Ethyl alcohol
has db xref: Gmelin:787
has db xref: HMDB:HMDB0000108
inchi: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
has db xref: KEGG:C00469
has db xref: KEGG:D00068
has db xref: KEGG:D06542
has db xref: KNApSAcK:C00019560
inchikey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
has db xref: MetaCyc:ETOH
has related synonym: Methylcarbinol
has db xref: MolBase:858
has db xref: MolBase:859
has db xref: PDBeChem:EOH
has db xref: PDBeChem:OHE
has db xref: PMID:11046114
has db xref: PMID:11090978
has db xref: PMID:11198720
has db xref: PMID:11200745
has db xref: PMID:11262320
has db xref: PMID:11303910
has db xref: PMID:11333032
has db xref: PMID:11505026
has db xref: PMID:11590970
has db xref: PMID:11728426
has db xref: PMID:11750186
has db xref: PMID:11754521
has db xref: PMID:11810019
has db xref: PMID:11826039
has db xref: PMID:11981228
has db xref: PMID:12824058
has db xref: PMID:12829422
has db xref: PMID:12888778
has db xref: PMID:12946583
has db xref: PMID:14674846
has db xref: PMID:15019421
has db xref: PMID:15239123
has db xref: PMID:15285839
has db xref: PMID:15464411
has db xref: PMID:15465973
has db xref: PMID:15749123
has db xref: PMID:15900217
has db xref: PMID:15902919
has db xref: PMID:16084479
has db xref: PMID:16133132
has db xref: PMID:16352430
has db xref: PMID:16390872

hydrogen peroxide
type: Class
subclass of: inorganic peroxide
subclass of: reactive oxygen species
charge: 0
monoisotopicmass: 34.005
mass: 34.01468
IAO_0000115: An inorganic peroxide consisting of two hydroxy groups joined by a covalent oxygen-oxygen single bond.
has db xref: Beilstein:3587191
has db xref: CAS:7722-84-1
has alternative id: CHEBI:13354
has alternative id: CHEBI:13355
id: CHEBI:16240
has alternative id: CHEBI:24637
has alternative id: CHEBI:44812
has alternative id: CHEBI:5586
has db xref: Drug_Central:3281
has db xref: Gmelin:509
has related synonym: H2O2
formula: H2O2
has db xref: HMDB:HMDB0003125
has related synonym: HOOH
has exact synonym: HYDROGEN PEROXIDE
has exact synonym: Hydrogen peroxide
inchi: InChI=1S/H2O2/c1-2/h1-2H
has db xref: KEGG:C00027
has db xref: KEGG:D00008
inchikey: MHAJPDPJQMAIIY-UHFFFAOYSA-N
has db xref: MetaCyc:HYDROGEN-PEROXIDE
has db xref: MolBase:932
has related synonym: Oxydol
has db xref: PDBeChem:PEO
has db xref: PMID:10455187
has db xref: PMID:10557015
has db xref: PMID:10849784
has db xref: PMID:11033421
has db xref: PMID:11105916
has db xref: PMID:11318558
has db xref: PMID:11387393
has db xref: PMID:11809417
has db xref: PMID:11864786
has db xref: PMID:11893576
has db xref: PMID:12867293
has db xref: PMID:12934880
has db xref: PMID:14679422
has db xref: PMID:15028418
has db xref: PMID:15133946
has db xref: PMID:15298493
has db xref: PMID:16337875
has db xref: PMID:16463018
has db xref: PMID:16864869
has db xref: PMID:17020896
has db xref: PMID:17179007
has db xref: PMID:17610934
has db xref: PMID:17948137
has db xref: PMID:18179203
has db xref: PMID:18182702
has db xref: PMID:18306736
has db xref: PMID:18443210
has db xref: PMID:18592736
has db xref: PMID:19107210
has db xref: PMID:19229032
has db xref: PMID:19297450
has db xref: PMID:19509065
has db xref: PMID:26352695
has db xref: PMID:26365231
has db xref: PMID:7548021
has db xref: PMID:7581816
has db xref: PMID:8048546
has db xref: PMID:8375042
has db xref: PMID:8451754
has db xref: PMID:9051670
has db xref: PMID:9100841
has db xref: PMID:9168257
has db xref: PMID:9202721
has db xref: PMID:9558114
has db xref: PPDB:387
has db xref: Reaxys:3587191
has db xref: Wikipedia:Hydrogen_peroxide
smiles: [H]OO[H]

phospholipid
type: Class
subclass of: lipid
subclass of: organic phosphate
subclass of: phosphoric ester
IAO_0000115: A lipid containing phosphoric acid as a mono- or di-ester. The term encompasses phosphatidic acids and phosphoglycerides.
formula: C5H6O8PR3
has alternative id: CHEBI:14816
id: CHEBI:16247
has alternative id: CHEBI:26063
has alternative id: CHEBI:8150
has db xref: KEGG:C00865
has exact synonym: Phospholipid
has related synonym: a phospholipid derivative
has OBO namespace: chebi_ontology
has related synonym: phospholipids
in subset: 3 STAR

phytanic acid
type: Class
subclass of: long-chain fatty acid
subclass of: branched-chain saturated fatty acid
subclass of: methyl-branched fatty acid
charge: 0
has related synonym: 3,7,11,15-Tetramethyl-hexadecansaeure
has related synonym: 3,7,11,15-tetramethyl hexadecanoic acid
has related synonym: 3,7,11,15-tetramethyl-hexadecanoic acid
has exact synonym: 3,7,11,15-tetramethylhexadecanoic acid
monoisotopicmass: 312.303
mass: 312.53040
IAO_0000115: A branched-chain saturated fatty acid consisting of hexadecanoic acid carrying methyl substituents at positions 3, 7, 11 and 15.
has db xref: Beilstein:1789963
formula: C20H40O2
has db xref: CAS:14721-66-5
smiles: CC(C)CCCC(C)CCCC(C)CCCC(C)CC(O)=O
id: CHEBI:16285
has alternative id: CHEBI:26111
has alternative id: CHEBI:8189
inchi: InChI=1S/C20H40O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h16-19H,6-15H2,1-5H3,(H,21,22)
has db xref: KEGG:C01607
has db xref: LIPID_MAPS_instance:LMFA01020251
has db xref: PMID:12187408
has db xref: PMID:17956237
has db xref: PMID:9819701
has exact synonym: Phytanic acid
inchikey: RLCKHJSFHOZMDR-UHFFFAOYSA-N
has db xref: Reaxys:1789963
has OBO namespace: chebi_ontology
in subset: 3 STAR

nitrite
type: Class
subclass of: nitrogen oxoanion
subclass of: reactive nitrogen species
subclass of: monovalent inorganic anion
charge: -1
monoisotopicmass: 45.993
mass: 46.00554
has db xref: CAS:14797-65-0
has alternative id: CHEBI:14658
id: CHEBI:16301
has alternative id: CHEBI:44396
has alternative id: CHEBI:7585
has db xref: Gmelin:977
inchikey: IOVCWXUNBOPUCH-UHFFFAOYSA-M
inchi: InChI=1S/HNO2/c2-1-3/h(H,2,3)/p-1
has db xref: KEGG:C00088
has related synonym: NITRITE ION
formula: NO2
has related synonym: NO2
has related synonym: NO2(-)
has related synonym: Nitrit
has exact synonym: Nitrite
has db xref: PDBeChem:NO2
IAO_0000115: The nitrogen oxoanion formed by loss of a proton from nitrous acid.
has db xref: Wikipedia:Nitrite
has related synonym: [NO2](-)
smiles: [O-]N=O
has OBO namespace: chebi_ontology
has exact synonym: dioxidonitrate(1-)
has exact synonym: dioxonitrate(1-)
has exact synonym: dioxonitrate(III)
has exact synonym: nitrite
has related synonym: nitrite anion
has related synonym: nitrite(1-)
has related synonym: nitrous acid, ion(1-)
in subset: 3 STAR

D-proline
type: Class
subclass of: D-alpha-amino acid
subclass of: proline
has related synonym: (2R)-pyrrolidine-2-carboxylic acid
has related synonym: (R)-2-Carboxypyrrolidine
has related synonym: (R)-pyrrolidine-2-carboxylic acid
charge: 0
monoisotopicmass: 115.063
mass: 115.13050
has db xref: Beilstein:80811
formula: C5H9NO2
has db xref: CAS:344-25-2
has alternative id: CHEBI:13008
id: CHEBI:16313
has alternative id: CHEBI:21070
has alternative id: CHEBI:42012
has alternative id: CHEBI:42129
has alternative id: CHEBI:42213
has alternative id: CHEBI:4226
has alternative id: CHEBI:45156
has exact synonym: D-PROLINE
has related synonym: D-Prolin
has exact synonym: D-Proline
has exact synonym: D-proline
has related synonym: DPR
has db xref: DrugBank:DB02853
has db xref: Gmelin:833984
has db xref: HMDB:HMDB0003411
inchi: InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1
has db xref: KEGG:C00763
has db xref: MetaCyc:D-PROLINE
smiles: OC(=O)[C@H]1CCCN1
inchikey: ONIBWKKTOPOVIA-SCSAIBSYSA-N
has db xref: PDBeChem:DPR
has db xref: PMID:19023642
has db xref: PMID:20023020
has db xref: PMID:20959625
has db xref: PMID:21374575
has db xref: PMID:21563681
has db xref: PMID:22475019
has db xref: PMID:22479580
has db xref: Reaxys:80811
IAO_0000115: The D-enantiomer of proline.
has db xref: Wikipedia:D-proline
has OBO namespace: chebi_ontology
in subset: 3 STAR

17beta-hydroxy-5alpha-androstan-3-one
type: Class
subclass of: 3-oxo-5alpha-steroid
subclass of: 17beta-hydroxy steroid
subclass of: 17beta-hydroxyandrostan-3-one
charge: 0
has exact synonym: 17beta-Hydroxy-5alpha-androstan-3-one
has related synonym: 17beta-Hydroxyandrostan-3-one
has exact synonym: 17beta-hydroxy-5alpha-androstan-3-one
has related synonym: 17beta-hydroxyandrostan-3-one
monoisotopicmass: 290.225
mass: 290.44030
has related synonym: 4,5alpha-dihydrotestosterone
has related synonym: 5alpha-DHT
has related synonym: 5alpha-Dihydrotestosterone
has related synonym: 5alpha-dihydrotestosterone
IAO_0000115: A 17beta-hydroxy steroid that is testosterone in which the 4,5 double bond has been reduced to a single bond with alpha-configuration at position 5.
has related synonym: Androstanolone
formula: C19H30O2
has db xref: CAS:521-18-6
has alternative id: CHEBI:11341
has alternative id: CHEBI:11342
id: CHEBI:16330
has alternative id: CHEBI:19175
has alternative id: CHEBI:41876
has alternative id: CHEBI:793
has related synonym: DHT
has related synonym: DIHYDROTESTOSTERONE
has related synonym: Dihydrotestosteron
has db xref: DrugBank:DB02901
has db xref: Drug_Central:3927
has db xref: HMDB:HMDB0002961
inchi: InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1
has db xref: KEGG:C03917
has db xref: KEGG:D07456
has db xref: LIPID_MAPS_instance:LMST02020042
has db xref: MetaCyc:17-BETA-HYDROXY-5ALPHA-ANDROSTAN-3-O
inchikey: NVKAWKQGWWIWPM-ABEVXSGRSA-N
has db xref: PDBeChem:DHT
has db xref: PMID:15251265
has db xref: PMID:15811352
has db xref: PMID:18076420
has related synonym: Stanolone
has db xref: Wikipedia:Dihydrotestosterone
has related synonym: androstanolona
has related synonym: androstanolone
has related synonym: androstanolonum
has OBO namespace: chebi_ontology
has related synonym: dihydrotestosterone
in subset: 3 STAR

adenosine
type: Class
subclass of: purines D-ribonucleoside
subclass of: adenosines
has related synonym: (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
charge: 0
monoisotopicmass: 267.097
mass: 267.24152
has related synonym: 6-Amino-9-beta-D-ribofuranosyl-9H-purine
has related synonym: 9-beta-D-Ribofuranosidoadenine
has related synonym: 9-beta-D-Ribofuranosyl-9H-purin-6-amine
has related synonym: 9-beta-D-ribofuranosyl-9H-purin-6-amine
IAO_0000115: A ribonucleoside composed of a molecule of adenine attached to a ribofuranose moiety via a beta-N(9)-glycosidic bond.
has exact synonym: ADENOSINE
has related synonym: Ade-Rib
has related synonym: Adenine Deoxyribonucleoside
has related synonym: Adenocard
has related synonym: Adenocor
has related synonym: Adenoscan
has related synonym: Adenosin
has exact synonym: Adenosine
has related synonym: Adenyldeoxyriboside
has related synonym: Ado
has db xref: Beilstein:93029
formula: C10H13N5O4
has db xref: CAS:58-61-7
has alternative id: CHEBI:13734
id: CHEBI:16335
has alternative id: CHEBI:22237
has alternative id: CHEBI:2472
has alternative id: CHEBI:40558
has alternative id: CHEBI:40825
has alternative id: CHEBI:40906
has related synonym: Deoxyadenosine
has related synonym: Desoxyadenosine
has db xref: DrugBank:DB00640
has db xref: Drug_Central:90
has db xref: ECMDB:ECMDB00050
has db xref: Gmelin:53385
has db xref: HMDB:HMDB0000050
inchi: InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
has db xref: KEGG:C00212
has db xref: KEGG:D00045
has db xref: KNApSAcK:C00007444
has db xref: LINCS:LSM-28568
has db xref: MetaCyc:ADENOSINE
inchikey: OIRDTQYFTABQOQ-KQYNXXCUSA-N
has db xref: PDBeChem:ADN
has db xref: PMID:11213237
has db xref: PMID:11820865
has db xref: PMID:11978011
has db xref: PMID:16183671
has db xref: PMID:16917093
has db xref: PMID:17190852
has db xref: PMID:18000974
has db xref: PMID:323854
has db xref: Reaxys:93029
has db xref: Wikipedia:Adenosine
has db xref: YMDB:YMDB00058
has exact synonym: adenosine
has related synonym: beta-D-Adenosine
has OBO namespace: chebi_ontology
in subset: 3 STAR

hyaluronic acid
type: Class
subclass of: mucopolysaccharide
subclass of: exopolysaccharide
formula: (C14H21NO12)n
charge: 0
mass: 395.31608
IAO_0000115: A mucopolysaccharide composed of N-acetylglucosamine and glucuronic acid subunits. It is found in the connective tissues of vertebrates.
has db xref: Beilstein:8538277
has db xref: CAS:9004-61-9
has alternative id: CHEBI:14412
id: CHEBI:16336
has alternative id: CHEBI:24622
has alternative id: CHEBI:24623
has alternative id: CHEBI:5772
has db xref: HMDB:HMDB0010366
has exact synonym: Hyaluronic acid
has related synonym: Hyaluronsaeure
has db xref: KEGG:C00518
has db xref: KEGG:D08043
has db xref: KEGG:G10505
has db xref: PMID:11122186
has db xref: PMID:18056362
has db xref: PMID:18290544
has db xref: Reaxys:8187837
has db xref: Wikipedia:Hyaluronan
has related synonym: [beta-D-glucopyranuronosyl-(1->3)-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->4)]n
has related synonym: [beta-N-Acetyl-D-glucosaminyl(1,4)beta-D-glucuronosyl(1,3)]n
has related synonym: acide hyaluronique
has related synonym: acido hialuronico
has OBO namespace: chebi_ontology
has related synonym: hyaluronan
in subset: 3 STAR

menaquinone
type: Class
subclass of: menaquinones
formula: (C5H8)nC11H8O2
charge: 0
IAO_0000115: Any member of the class of menaquinones that is 2-methyl-1,4-naphthoquinone with an unsaturated isoprenoid chain at the 3-position.
has db xref: CAS:11032-49-8
has alternative id: CHEBI:14582
id: CHEBI:16374
has alternative id: CHEBI:25184
has alternative id: CHEBI:6749
has db xref: KEGG:C00828
has exact synonym: Menaquinone
has related synonym: Menatetrenone
has db xref: Wikipedia:Vitamin_K2
has related synonym: a menaquinone
has OBO namespace: chebi_ontology
has related synonym: vitamin K2
in subset: 3 STAR

D-cysteine
type: Class
subclass of: cysteine
subclass of: D-alpha-amino acid
has related synonym: (2S)-2-amino-3-mercaptopropanoic acid
has related synonym: (2S)-2-amino-3-sulfanylpropanoic acid
has related synonym: (S)-2-amino-3-mercaptopropanoic acid
charge: 0
monoisotopicmass: 121.020
mass: 121.15922
IAO_0000115: An optically active form of cysteine having D-configuration.
has db xref: Beilstein:1721407
formula: C3H7NO2S
has db xref: CAS:921-01-7
has alternative id: CHEBI:12919
id: CHEBI:16375
has alternative id: CHEBI:20921
has alternative id: CHEBI:4111
has alternative id: CHEBI:41887
has related synonym: D-Amino-3-mercaptopropionic acid
has exact synonym: D-CYSTEINE
has related synonym: D-Cystein
has exact synonym: D-Cysteine
has related synonym: D-Zystein
has exact synonym: D-cysteine
has related synonym: DCY
has db xref: DrugBank:DB03201
has db xref: ECMDB:ECMDB03417
has db xref: Gmelin:363236
has db xref: HMDB:HMDB0003417
inchi: InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m1/s1
has db xref: KEGG:C00793
has db xref: KNApSAcK:C00007323
smiles: N[C@H](CS)C(O)=O
has db xref: PDBeChem:DCY
has db xref: PMID:13761469
has db xref: PMID:23340406
has db xref: PMID:24800864
has db xref: Reaxys:1721407
inchikey: XUJNEKJLAYXESH-UWTATZPHSA-N
has db xref: YMDB:YMDB00913
has OBO namespace: chebi_ontology
in subset: 3 STAR

iodide
type: Class
subclass of: halide anion
subclass of: monoatomic iodine
charge: -1
monoisotopicmass: 126.904
mass: 126.90447
has db xref: Beilstein:3587184
has db xref: CAS:20461-54-5
has alternative id: CHEBI:14460
id: CHEBI:16382
has alternative id: CHEBI:49698
has alternative id: CHEBI:5946
has db xref: Gmelin:14912
formula: I
has related synonym: I(-)
has related synonym: I-
has related synonym: IODIDE ION
inchi: InChI=1S/HI/h1H/p-1
has exact synonym: Iodide
has db xref: KEGG:C00708
has db xref: PDBeChem:IOD
inchikey: XMBWDFGMSWQBCA-UHFFFAOYSA-M
smiles: [I-]
has OBO namespace: chebi_ontology
has exact synonym: iodide
has exact synonym: iodide(1-)
has related synonym: iodine anion
in subset: 3 STAR

organic sulfide
type: Class
subclass of: sulfide
subclass of: organosulfur compound
monoisotopicmass: 31.972
has alternative id: CHEBI:13694
id: CHEBI:16385
has alternative id: CHEBI:26960
has alternative id: CHEBI:9340
IAO_0000115: Compounds having the structure RSR (R =/= H). Such compounds were once called thioethers.
has db xref: KEGG:C00297
has related synonym: RSR
formula: SR2
has related synonym: Sulfide
has related synonym: Thioether
has OBO namespace: chebi_ontology
has related synonym: organic sulfides
has exact synonym: sulfides
has related synonym: thioether
has related synonym: thioethers
in subset: 3 STAR

sphingosine
type: Class
subclass of: sphing-4-enine
has related synonym: (2S,3R)-(E)-2-amino-1,3-dihydroxy-4-octadecene
has related synonym: (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-ene-1-ol
has related synonym: (2S,3R,4E)-2-amino-4-octadecene-1,3-diol
has exact synonym: (2S,3R,4E)-2-aminooctadec-4-ene-1,3-diol
has related synonym: (2S,3R,E)-2-aminooctadec-4-ene-1,3-diol
has related synonym: (4E)-sphing-4-enine
has related synonym: (4E)-sphingenine
has related synonym: (E)-2-amino-4-octadecan-1,3-diol
has related synonym: (E)-D-erythro-4-octadecene-1,3-diol
charge: 0
has related synonym: 2-amino-4-octadecene-1,3-diol
monoisotopicmass: 299.282
mass: 299.49190
IAO_0000115: A sphing-4-enine in which the double bond is trans.
has db xref: Beilstein:1727294
has db xref: Beilstein:4676153
has related synonym: C18 sphingosine
formula: C18H37NO2
has db xref: CAS:123-78-4
smiles: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)CO
has alternative id: CHEBI:15102
id: CHEBI:16393
has alternative id: CHEBI:207585
has alternative id: CHEBI:26741
has alternative id: CHEBI:9224
has related synonym: D-(+)-erythro-1,3-dihydroxy-2-amino-4-trans-octadecene
has related synonym: D-erythro-sphingosine
has db xref: DrugBank:DB03203
has db xref: HMDB:HMDB0000252
inchi: InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3/b15-14+/t17-,18+/m0/s1
has db xref: KEGG:C00319
has db xref: LIPID_MAPS_instance:LMSP01010001
has db xref: PDBeChem:SQS
has db xref: PMID:10453988
has db xref: PMID:16341241
has db xref: PMID:24731183
has db xref: PMID:8482346
has db xref: Reaxys:1727294
has related synonym: Sph
has related synonym: Sphing-4-enine
has related synonym: Sphingenine
has related synonym: Sphingoid
has exact synonym: Sphingosine
has related synonym: Sphingosine d18:1
inchikey: WWUZIQQURGPMPG-KRWOKUGFSA-N
has OBO namespace: chebi_ontology
has related synonym: sphingosin
has related synonym: trans-4-sphingenine
has related synonym: trans-D-erythro-2-amino-4-octadecene-1,3-diol
in subset: 3 STAR

alanine
type: Class
subclass of: alpha-amino acid
charge: 0
has related synonym: 2-Aminopropanoic acid
has related synonym: 2-Aminopropionic acid
has exact synonym: 2-aminopropanoic acid
monoisotopicmass: 89.048
mass: 89.09322
has related synonym: A
has related synonym: ALA
has related synonym: Alanin
has exact synonym: Alanine
IAO_0000115: An alpha-amino acid that consists of propionic acid bearing an amino substituent at position 2.
has db xref: Beilstein:635807
formula: C3H7NO2
has db xref: CAS:302-72-7
smiles: CC(N)C(O)=O
has alternative id: CHEBI:13748
id: CHEBI:16449
has alternative id: CHEBI:22277
has alternative id: CHEBI:2539
has db xref: Drug_Central:4306
has db xref: Gmelin:2449
inchi: InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)
has db xref: KEGG:C01401
has db xref: PMID:17439666
has db xref: PMID:22264337
inchikey: QNAYBMKLOCPYGJ-UHFFFAOYSA-N
has db xref: Reaxys:635807
has db xref: Wikipedia:Alanine
has related synonym: alanina
has exact synonym: alanine
has OBO namespace: chebi_ontology
in subset: 3 STAR

pentan-2-one
type: Class
subclass of: pentanone
subclass of: methyl ketone
charge: 0
has related synonym: 2-Pentanone
has related synonym: 2-pentanone
monoisotopicmass: 86.073
mass: 86.13230
IAO_0000115: A pentanone carrying an oxo substituent at position 2.
has db xref: AGR:IND500714276
formula: C5H10O
has db xref: CAS:107-87-9
smiles: CCCC(C)=O
has alternative id: CHEBI:14748
id: CHEBI:16472
has alternative id: CHEBI:25886
has alternative id: CHEBI:7978
has db xref: HMDB:HMDB0034235
inchi: InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3
has db xref: KEGG:C01949
has db xref: LIPID_MAPS_instance:LMFA12000003
has db xref: MetaCyc:PENTAN-2-ONE
has related synonym: Methyl propyl ketone
has db xref: PDBeChem:PNH
has db xref: PMID:22364569
has exact synonym: Pentan-2-one
has db xref: Reaxys:506058
has db xref: Wikipedia:Pentan-2-one
inchikey: XNLICIUVMPYHGG-UHFFFAOYSA-N
has OBO namespace: chebi_ontology
has exact synonym: pentan-2-one
in subset: 3 STAR

N-acylneuraminic acid
type: Class
subclass of: sialic acid
charge: 0
monoisotopicmass: 294.083
mass: 294.23530
has exact synonym: 5-alkanamido-3,5-dideoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid
IAO_0000115: Any neuraminic acid carrying an N-acyl substituent.
formula: C10H16NO9R
has alternative id: CHEBI:12485
id: CHEBI:16498
has alternative id: CHEBI:21664
has alternative id: CHEBI:7240
has db xref: KEGG:C00591
has related synonym: N-Acylneuraminate
has related synonym: N-acylneuraminic acids
has OBO namespace: chebi_ontology
in subset: 3 STAR

carbon dioxide
type: Class
subclass of: gas molecular entity
subclass of: carbon oxide
subclass of: one-carbon compound
charge: 0
monoisotopicmass: 43.990
mass: 44.010
IAO_0000115: A one-carbon compound with formula CO2 in which the carbon is attached to each oxygen atom by a double bond. A colourless, odourless gas under normal conditions, it is produced during respiration by all animals, fungi and microorganisms that depend directly or indirectly on living or decaying plants for food.
has db xref: Beilstein:1900390
has exact synonym: CARBON DIOXIDE
has db xref: CAS:124-38-9
has alternative id: CHEBI:13282
has alternative id: CHEBI:13283
has alternative id: CHEBI:13284
has alternative id: CHEBI:13285
id: CHEBI:16526
has alternative id: CHEBI:23011
has alternative id: CHEBI:3283
has alternative id: CHEBI:48829
has related synonym: CO2
formula: CO2
inchikey: CURLTUGMZLYLDI-UHFFFAOYSA-N
has exact synonym: Carbon dioxide
has db xref: Drug_Central:4256
has related synonym: E 290
has related synonym: E-290
has related synonym: E290
has db xref: Gmelin:989
has db xref: HMDB:HMDB0001967
inchi: InChI=1S/CO2/c2-1-3
has db xref: KEGG:C00011
has db xref: KEGG:D00004
has db xref: MetaCyc:CARBON-DIOXIDE
has db xref: MolBase:752
smiles: O=C=O
has db xref: PDBeChem:CO2
has db xref: PMID:10826146
has db xref: PMID:11094503
has db xref: PMID:11584085
has db xref: PMID:11802652
has db xref: PMID:14639145
has db xref: PMID:15050588
has db xref: PMID:16591971
has db xref: PMID:16656478
has db xref: PMID:16659660
has db xref: PMID:17190796
has db xref: PMID:17448243
has db xref: PMID:17878298
has db xref: PMID:17884085
has db xref: PMID:19043767
has db xref: PMID:19259576
has db xref: PMID:19854893
has db xref: PMID:23384758
has db xref: PMID:23828359
has db xref: PMID:24258718
has db xref: PMID:8482095
has db xref: PMID:8818713
has db xref: PMID:8869828
has db xref: PMID:9611769
has db xref: PMID:9730350
has db xref: PPDB:119
has related synonym: R-744
has db xref: Reaxys:1900390
has db xref: UM-BBD_compID:c0131
has db xref: Wikipedia:Carbon_dioxide
has related synonym: [CO2]
has exact synonym: carbon dioxide
has related synonym: carbonic anhydride
has OBO namespace: chebi_ontology
has exact synonym: dioxidocarbon
has exact synonym: methanedione
in subset: 3 STAR

protein polypeptide chain
type: Class
subclass of: polypeptide
subclass of: Restriction
  on property: has part
  some values from: proteinogenic amino-acid residue
IAO_0000115: A naturally occurring polypeptide synthesized at the ribosome.
id: CHEBI:16541
has alternative id: CHEBI:8526
has db xref: KEGG:C00017
has related synonym: Protein
has OBO namespace: chebi_ontology
has related synonym: polypeptide chain
has related synonym: protein polypeptide chains
in subset: 3 STAR

ethanethioic S-acid
type: Class
subclass of: thioacetic acid
charge: 0
monoisotopicmass: 75.998
mass: 76.11856
IAO_0000115: A thioacetic acid that is acetic acid in which the oxygen atom of the hydroxy group has been replaced by a sulfur atom.
has db xref: Beilstein:773684
formula: C2H4OS
has db xref: CAS:507-09-5
smiles: CC(S)=O
has related synonym: CH3COSH
id: CHEBI:16555
has alternative id: CHEBI:9547
inchikey: DUYAAUVXQSMXQP-UHFFFAOYSA-N
has db xref: Gmelin:49262
inchi: InChI=1S/C2H4OS/c1-2(3)4/h1H3,(H,3,4)
has db xref: KEGG:C01857
has db xref: PMID:23298036
has db xref: Reaxys:773684
has related synonym: Thioacetic acid
has related synonym: acetyl mercaptan
has OBO namespace: chebi_ontology
has exact synonym: ethanethioic S-acid
has related synonym: thioacetic S-acid
in subset: 3 STAR

butane-2,3-dione
type: Class
subclass of: alpha-diketone
charge: 0
has related synonym: 2,3-Butadione
has related synonym: 2,3-Butanedione
has related synonym: 2,3-Diketobutane
has related synonym: 2,3-Dioxobutane
has related synonym: 2,3-butandione
monoisotopicmass: 86.037
mass: 86.08924
IAO_0000115: An alpha-diketone that is butane substituted by oxo groups at positions 2 and 3. It is a metabolite produced during the malolactic fermentation.
has db xref: Beilstein:605398
has related synonym: Biacetyl
formula: C4H6O2
has db xref: CAS:431-03-8
smiles: CC(=O)C(C)=O
has alternative id: CHEBI:14134
id: CHEBI:16583
has alternative id: CHEBI:4479
has related synonym: Diacetyl
has related synonym: Dimethyl glyoxal
has related synonym: Dimethylglyoxal
has db xref: HMDB:HMDB0003407
inchi: InChI=1S/C4H6O2/c1-3(5)4(2)6/h1-2H3
has db xref: KEGG:C00741
has db xref: PMID:15654607
has db xref: PMID:24614328
inchikey: QSJXEFYPDANLFS-UHFFFAOYSA-N
has db xref: Reaxys:605398
has exact synonym: butane-2,3-dione
has OBO namespace: chebi_ontology
has related synonym: diacetyl
in subset: 3 STAR

5alpha-cholest-8-en-3beta-ol
type: Class
subclass of: 3beta-sterol
subclass of: cholestanoid
has exact synonym: (5alpha)-cholest-8-en-3beta-ol
charge: 0
monoisotopicmass: 386.355
mass: 386.65354
has exact synonym: 5alpha-Cholest-8-en-3beta-ol
has exact synonym: 5alpha-cholest-8-en-3beta-ol
IAO_0000115: A cholestanoid that is 5alpha-cholestane substituted by a beta-hydroxy group at position 3.
formula: C27H46O
has db xref: CAS:566-97-2
has alternative id: CHEBI:12170
id: CHEBI:16608
has alternative id: CHEBI:20645
has alternative id: CHEBI:2139
has related synonym: Cholestenol
has db xref: HMDB:HMDB0006841
inchi: InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-21,23-24,28H,6-17H2,1-5H3/t19-,20+,21+,23-,24+,26+,27-/m1/s1
has db xref: KEGG:C03845
has db xref: LIPID_MAPS_instance:LMST01010096
has db xref: MetaCyc:CPD-8621
has db xref: PMID:5642322
inchikey: QETLKNDKQOXZRP-XTGBIJOFSA-N
has db xref: Reaxys:2337227
has related synonym: Zymostenol
has OBO namespace: chebi_ontology
in subset: 3 STAR

carbohydrate
type: Class
subclass of: carbohydrates and carbohydrate derivatives
IAO_0000115: Any member of the class of organooxygen compounds that is a polyhydroxy-aldehyde or -ketone or a lactol resulting from their intramolecular condensation (monosaccharides); substances derived from these by reduction of the carbonyl group (alditols), by oxidation of one or more hydroxy groups to afford the corresponding aldehydes, ketones, or carboxylic acids, or by replacement of one or more hydroxy group(s) by a hydrogen atom; and polymeric products arising by intermolecular acetal formation between two or more such molecules (disaccharides, polysaccharides and oligosaccharides). Carbohydrates contain only carbon, hydrogen and oxygen atoms; prior to any oxidation or reduction, most have the empirical formula Cm(H2O)n. Compounds obtained from carbohydrates by substitution, etc., are known as carbohydrate derivatives and may contain other elements. Cyclitols are generally not regarded as carbohydrates.
has alternative id: CHEBI:15131
id: CHEBI:16646
has alternative id: CHEBI:23008
has alternative id: CHEBI:9318
has related synonym: Kohlenhydrat
has related synonym: Kohlenhydrate
has db xref: Wikipedia:Carbohydrate
has related synonym: carbohidrato
has related synonym: carbohidratos
has exact synonym: carbohydrate
has exact synonym: carbohydrates
has OBO namespace: chebi_ontology
has related synonym: glucide
has related synonym: glucides
has related synonym: glucido
has related synonym: glucidos
has related synonym: hydrates de carbone
has related synonym: saccharide
has related synonym: saccharides
has related synonym: saccharidum
in subset: 3 STAR

(S)-lactate
type: Class
subclass of: lactate
has related synonym: (+)-lactate
has exact synonym: (2S)-2-hydroxypropanoate
has exact synonym: (S)-lactate
charge: -1
monoisotopicmass: 89.024
mass: 89.07000
IAO_0000115: An optically active form of lactate having (S)-configuration.
has db xref: Beilstein:4655977
formula: C3H5O3
has alternative id: CHEBI:11065
has alternative id: CHEBI:12411
id: CHEBI:16651
has alternative id: CHEBI:18783
smiles: C[C@H](O)C([O-])=O
has db xref: Gmelin:324523
inchi: InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1
inchikey: JVTAAEKCZFNVCJ-REOHCLBHSA-M
has db xref: KEGG:C00186
has related synonym: L(+)-lactate
has related synonym: L-(+)-lactate
has related synonym: L-lactate
has db xref: MetaCyc:L-LACTATE
has db xref: Reaxys:4655977
has db xref: UM-BBD_compID:c0152
has OBO namespace: chebi_ontology
in subset: 3 STAR

peptide
type: Class
subclass of: carboxamide
subclass of: organic amino compound
subclass of: Restriction
  on property: has part
  some values from: amino-acid residue
formula: (C2H2NOR)nC2H3NOR
charge: 0
IAO_0000115: Amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another with formal loss of water. The term is usually applied to structures formed from alpha-amino acids, but it includes those derived from any amino carboxylic acid. X = OH, OR, NH2, NHR, etc.
has alternative id: CHEBI:14753
id: CHEBI:16670
has alternative id: CHEBI:25906
has alternative id: CHEBI:7990
has db xref: KEGG:C00012
has related synonym: Peptid
has exact synonym: Peptide
has OBO namespace: chebi_ontology
has exact synonym: peptides
has related synonym: peptido
has related synonym: peptidos
in subset: 3 STAR

nucleoside 5'-phosphate
type: Class
subclass of: mononucleotide
charge: 0
monoisotopicmass: 196.014
mass: 196.09510
IAO_0000115: A ribosyl or deoxyribosyl derivative of a pyrimidine or purine base in which C-5 of the ribose ring is mono-, di-, tri- or tetra-phosphorylated.
formula: C5H9O6PR2
has alternative id: CHEBI:14674
id: CHEBI:16701
has alternative id: CHEBI:25603
has alternative id: CHEBI:7650
has db xref: KEGG:C01117
has exact synonym: Nucleoside 5'-phosphate
has OBO namespace: chebi_ontology
has related synonym: nucleoside 5'-phosphates
in subset: 3 STAR

adenine
type: Class
subclass of: 6-aminopurines
subclass of: purine nucleobase
charge: 0
monoisotopicmass: 135.054
mass: 135.12690
has related synonym: 6-Aminopurine
has exact synonym: 9H-purin-6-amine
has related synonym: A
has exact synonym: ADENINE
has related synonym: Ade
has related synonym: Adenin
has exact synonym: Adenine
has db xref: Beilstein:608603
formula: C5H5N5
has db xref: CAS:73-24-5
has alternative id: CHEBI:13733
id: CHEBI:16708
has alternative id: CHEBI:22236
has alternative id: CHEBI:2470
has alternative id: CHEBI:40579
has db xref: DrugBank:DB00173
has db xref: Drug_Central:89
inchikey: GFFGJBXGBJISGV-UHFFFAOYSA-N
has db xref: Gmelin:3903
has db xref: HMDB:HMDB0000034
inchi: InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)
has db xref: KEGG:C00147
has db xref: KEGG:D00034
has db xref: KNApSAcK:C00001490
has db xref: MetaCyc:ADENINE
smiles: Nc1ncnc2[nH]cnc12
has db xref: PDBeChem:ADE
has db xref: PMID:11985597
has db xref: PMID:12829005
has db xref: PMID:12951489
has db xref: PMID:15063338
has db xref: PMID:15715490
has db xref: PMID:17439666
has db xref: PMID:8070089
has db xref: Reaxys:608603
IAO_0000115: The parent compound of the 6-aminopurines, composed of a purine having an amino group at C-6.
has db xref: Wikipedia:Adenine
has exact synonym: adenine
has OBO namespace: chebi_ontology
in subset: 3 STAR

benzene
type: Class
subclass of: volatile organic compound
subclass of: benzenes
subclass of: aromatic annulene
charge: 0
monoisotopicmass: 78.047
mass: 78.11184
IAO_0000115: A six-carbon aromatic annulene in which each carbon atom donates one of its two 2p electrons into a delocalised pi system. A toxic, flammable liquid byproduct of coal distillation, it is used as an industrial solvent. Benzene is a carcinogen that also damages bone marrow and the central nervous system.
has exact synonym: BENZENE
has db xref: Beilstein:969212
has related synonym: Benzen
has exact synonym: Benzene
has related synonym: Benzine
has related synonym: Benzol
has related synonym: Bicarburet of hydrogen
formula: C6H6
has db xref: CAS:71-43-2
has alternative id: CHEBI:13876
id: CHEBI:16716
has alternative id: CHEBI:22703
has alternative id: CHEBI:3025
has alternative id: CHEBI:41187
has related synonym: Coal naphtha
has db xref: Gmelin:1671
has db xref: HMDB:HMDB0001505
inchi: InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H
has db xref: KEGG:C01407
has related synonym: Mineral naphtha
has db xref: PDBeChem:BNZ
has db xref: PMID:11684179
has db xref: PMID:11993966
has db xref: PMID:12857942
has db xref: PMID:14677922
has db xref: PMID:15468289
has db xref: PMID:15935818
has db xref: PMID:16161967
has db xref: PMID:17373369
has db xref: PMID:18072742
has db xref: PMID:18407866
has db xref: PMID:18409691
has db xref: PMID:18836923
has db xref: PMID:19228219
has db xref: PMID:21325737
has db xref: PMID:23088855
has db xref: PMID:23222815
has db xref: PMID:23534829
has db xref: PMID:6353911
has db xref: PMID:8124204
has related synonym: Phene
has related synonym: Pyrobenzol
has related synonym: Pyrobenzole
has db xref: Reaxys:969212
inchikey: UHOVQNZJYSORNB-UHFFFAOYSA-N
has db xref: UM-BBD_compID:c0142
has db xref: Wikipedia:Benzene
has related synonym: [6]annulene
has exact synonym: benzene
has related synonym: benzole
smiles: c1ccccc1
has OBO namespace: chebi_ontology
has related synonym: cyclohexatriene
has related synonym: phenyl hydride
in subset: 3 STAR

D-alpha-amino acid
type: Class
subclass of: non-proteinogenic alpha-amino acid
charge: 0
monoisotopicmass: 74.024
mass: 74.05870
formula: C2H4NO2R
has alternative id: CHEBI:12909
has alternative id: CHEBI:13625
id: CHEBI:16733
has alternative id: CHEBI:20906
has alternative id: CHEBI:4097
has related synonym: D-Amino acid
has exact synonym: D-alpha-amino acid
has exact synonym: D-alpha-amino acids
has related synonym: D-alpha-amino acids
has db xref: KEGG:C00405
smiles: N[C@H]([*])C(O)=O
has OBO namespace: chebi_ontology
in subset: 3 STAR

creatinine
type: Class
subclass of: lactam
subclass of: imidazolidinone
charge: 0
has related synonym: 1-Methylglycocyamidine
has related synonym: 1-Methylhydantoin-2-imide
has related synonym: 1-methylglycocyamidine
monoisotopicmass: 113.059
mass: 113.11800
has related synonym: 2-Amino-1-methylimidazolin-4-one
has related synonym: 2-amino-1,5-dihydro-1-methyl-4H-Imidazol-4-one
has exact synonym: 2-imino-1-methylimidazolidin-4-one
IAO_0000115: A lactam obtained by formal cyclocondensation of creatine. It is a metabolite of creatine.
formula: C4H7N3O
has db xref: CAS:60-27-5
has alternative id: CHEBI:14029
id: CHEBI:16737
has alternative id: CHEBI:23406
has alternative id: CHEBI:3910
smiles: CN1CC(=O)NC1=N
has related synonym: Creatine anhydride
has exact synonym: Creatinine
inchikey: DDRJAANPRJIHGJ-UHFFFAOYSA-N
has db xref: HMDB:HMDB0000562
inchi: InChI=1S/C4H7N3O/c1-7-2-3(8)6-4(7)5/h2H2,1H3,(H2,5,6,8)
has db xref: KEGG:C00791
has db xref: KEGG:D03600
has related synonym: Kreatinin
has db xref: MetaCyc:CREATININE
has db xref: PMID:11256540
has db xref: PMID:11981083
has db xref: PMID:17190852
has db xref: PMID:17422601
has db xref: PMID:18182718
has db xref: PMID:19236048
has db xref: PMID:19715855
has db xref: PMID:19968328
has db xref: PMID:21775764
has db xref: PMID:22047975
has db xref: PMID:22121923
has db xref: PMID:22166252
has db xref: PMID:22207347
has db xref: PMID:22212624
has db xref: PMID:22223530
has db xref: PMID:22331238
has db xref: PMID:22338083
has db xref: PMID:22349552
has db xref: PMID:22390548
has db xref: PMID:22432114
has db xref: PMID:22441184
has db xref: PMID:22459582
has db xref: PMID:22498455
has db xref: Reaxys:112064
has db xref: Wikipedia:Creatinine
has OBO namespace: chebi_ontology
has related synonym: creatinina
has exact synonym: creatinine
in subset: 3 STAR

orotic acid
type: Class
subclass of: pyrimidinemonocarboxylic acid
charge: 0
monoisotopicmass: 156.017
mass: 156.09630
has exact synonym: 2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
IAO_0000115: A pyrimidinemonocarboxylic acid that is uracil bearing a carboxy substituent at position C-6.
has db xref: Beilstein:383901
formula: C5H4N2O4
has db xref: CAS:65-86-1
id: CHEBI:16742
has alternative id: CHEBI:25720
has alternative id: CHEBI:44781
has alternative id: CHEBI:7787
has db xref: DrugBank:DB02262
has db xref: Drug_Central:3402
has db xref: Gmelin:101990
has db xref: HMDB:HMDB0000226
inchi: InChI=1S/C5H4N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11)
has db xref: KEGG:C00295
has db xref: KEGG:D00055
has db xref: KNApSAcK:C00019689
has db xref: MetaCyc:OROTATE
smiles: OC(=O)c1cc(=O)[nH]c(=O)[nH]1
has exact synonym: OROTIC ACID
has exact synonym: Orotic acid
has related synonym: Orotsaeure
has db xref: PDBeChem:ORO
has db xref: PMID:11059538
has db xref: PMID:22019295
has db xref: PMID:22285839
has db xref: PMID:22307261
has db xref: PMID:22371390
has db xref: PMID:22634191
has db xref: PMID:22707164
has db xref: PMID:22770225
has db xref: PMID:22863860
has db xref: PMID:7264771
inchikey: PXQPEWDEAKTCGB-UHFFFAOYSA-N
has db xref: Reaxys:383901
has related synonym: Uracil-6-carboxylic acid
has db xref: Wikipedia:Orotic_acid
has OBO namespace: chebi_ontology
in subset: 3 STAR

ADP
type: Class
subclass of: purine ribonucleoside 5'-diphosphate
subclass of: adenosine 5'-phosphate
charge: 0
monoisotopicmass: 427.029
mass: 427.20110
has related synonym: 5'-adenylphosphoric acid
IAO_0000115: A purine ribonucleoside 5'-diphosphate having adenine as the nucleobase.
has related synonym: ADENOSINE-5'-DIPHOSPHATE
has exact synonym: ADP
has related synonym: Adenosine 5'-diphosphate
has db xref: Beilstein:67722
formula: C10H15N5O10P2
has db xref: CAS:20398-34-9
has db xref: CAS:58-64-0
has alternative id: CHEBI:13222
id: CHEBI:16761
has alternative id: CHEBI:22244
has alternative id: CHEBI:2342
has alternative id: CHEBI:40553
has db xref: COMe:MOL000173
has db xref: DrugBank:DB03431
has db xref: Gmelin:88452
has related synonym: H3adp
has db xref: KEGG:C00008
has db xref: KEGG:G11113
has db xref: KNApSAcK:C00019353
has db xref: PDBeChem:ADP
has db xref: PMID:16295522
has db xref: Reaxys:67722
inchikey: XTWYTFMLZFPYCI-KQYNXXCUSA-N
has exact synonym: adenosine 5'-(trihydrogen diphosphate)
has OBO namespace: chebi_ontology
in subset: 3 STAR

tryptamine
type: Class
subclass of: tryptamines
subclass of: aminoalkylindole
subclass of: indole alkaloid
subclass of: aralkylamino compound
charge: 0
monoisotopicmass: 160.100
mass: 160.21570
has related synonym: 1H-indole-3-ethanamine
has related synonym: 2-(1H-INDOL-3-YL)ETHANAMINE
has exact synonym: 2-(1H-indol-3-yl)ethanamine
has related synonym: 2-(3-indolyl)ethylamine
has related synonym: 3-(2-Aminoethyl)indole
inchikey: APJYDQYYACXCRM-UHFFFAOYSA-N
IAO_0000115: An aminoalkylindole consisting of indole having a 2-aminoethyl group at the 3-position.
has db xref: Beilstein:125513
formula: C10H12N2
has db xref: CAS:61-54-1
has alternative id: CHEBI:15274
id: CHEBI:16765
has alternative id: CHEBI:27161
has alternative id: CHEBI:46157
has alternative id: CHEBI:9767
has db xref: DrugBank:DB08653
has db xref: Gmelin:603448
has db xref: HMDB:HMDB0000303
inchi: InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2
has db xref: KEGG:C00398
has db xref: KNApSAcK:C00001434
has db xref: MetaCyc:TRYPTAMINE
smiles: NCCc1c[nH]c2ccccc12
has db xref: PDBeChem:TSS
has db xref: PMID:16126914
has db xref: PMID:22770225
has db xref: PMID:24345948
has db xref: PMID:24558969
has db xref: Reaxys:125513
has exact synonym: Tryptamine
has db xref: Wikipedia:Tryptamine
has OBO namespace: chebi_ontology
in subset: 3 STAR

(S)-2-hydroxyglutarate(2-)
type: Class
subclass of: 2-hydroxyglutarate(2-)
has exact synonym: (2S)-2-hydroxypentanedioate
has related synonym: (S)-2-hydroxyglutarate
charge: -2
monoisotopicmass: 146.022
mass: 146.09814
IAO_0000115: A 2-hydroxyglutarate(2-) that has (2S)-configuration.
has db xref: Beilstein:5257108
formula: C5H6O5
has alternative id: CHEBI:11036
id: CHEBI:16782
has alternative id: CHEBI:18738
inchikey: HWXBTNAVRSUOJR-VKHMYHEASA-L
inchi: InChI=1S/C5H8O5/c6-3(5(9)10)1-2-4(7)8/h3,6H,1-2H2,(H,7,8)(H,9,10)/p-2/t3-/m0/s1
has db xref: KEGG:C03196
has db xref: MetaCyc:CPD-381
smiles: O[C@@H](CCC([O-])=O)C([O-])=O
has db xref: Reaxys:5257108
has OBO namespace: chebi_ontology
in subset: 3 STAR

2-oxoglutarate(2-)
type: Class
subclass of: oxo dicarboxylate
charge: -2
monoisotopicmass: 144.006
mass: 144.08226
has related synonym: 2-ketoglutarate
has related synonym: 2-oxoglutarate
has exact synonym: 2-oxopentanedioate
has related synonym: 2-oxopentanedioic acid, ion(2-)
IAO_0000115: An oxo dicarboxylate obtained by deprotonation of both carboxy groups of 2-oxoglutaric acid.
has db xref: Beilstein:3664503
formula: C5H4O5
has db xref: CAS:64-15-3
has alternative id: CHEBI:11638
id: CHEBI:16810
has alternative id: CHEBI:19748
has db xref: Gmelin:602479
inchi: InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)/p-2
has db xref: KEGG:C00026
inchikey: KPGXRSRHYNQIFN-UHFFFAOYSA-L
has db xref: MetaCyc:2-KETOGLUTARATE
has db xref: PMID:11913971
has db xref: PMID:15612731
has db xref: PMID:17190852
has db xref: PMID:19376872
has db xref: PMID:21184277
has db xref: PMID:21196226
has db xref: PMID:21791173
has db xref: Reaxys:3664503
smiles: [O-]C(=O)CCC(=O)C([O-])=O
has related synonym: alpha-ketoglutarate
has OBO namespace: chebi_ontology
in subset: 3 STAR

methionine
type: Class
subclass of: sulfur-containing amino acid
subclass of: alpha-amino acid
charge: 0
monoisotopicmass: 149.051
mass: 149.21238
has related synonym: 2-Amino-4-(methylthio)butyric acid
has related synonym: 2-amino-4-(methylsulfanyl)butanoic acid
has related synonym: 2-amino-4-(methylthio)butanoic acid
IAO_0000115: A sulfur-containing amino acid that is butyric acid bearing an amino substituent at position 2 and a methylthio substituent at position 4.
has db xref: Beilstein:636185
formula: C5H11NO2S
has db xref: CAS:59-51-8
has alternative id: CHEBI:14590
id: CHEBI:16811
has alternative id: CHEBI:25229
has alternative id: CHEBI:6829
smiles: CSCCC(N)C(O)=O
has related synonym: DL-Methionine
inchikey: FFEARJCKVFRZRR-UHFFFAOYSA-N
has db xref: Gmelin:3117
has related synonym: Hmet
inchi: InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)
has db xref: KEGG:C01733
has db xref: KEGG:D04983
has related synonym: M
has related synonym: Met
has related synonym: Methionin
has exact synonym: Methionine
has db xref: PMID:16702333
has db xref: PMID:22264337
has db xref: PMID:2543976
has related synonym: Racemethionine
has db xref: Reaxys:636185
has db xref: UM-BBD_compID:c0094
has db xref: Wikipedia:Methionine
has related synonym: alpha-amino-gamma-methylmercaptobutyric acid
has OBO namespace: chebi_ontology
has exact synonym: methionine
has related synonym: metionina
in subset: 3 STAR

galactitol
type: Class
subclass of: hexitol
has related synonym: (2R,3S,4R,5S)-hexane-1,2,3,4,5,6-hexol
charge: 0
monoisotopicmass: 182.079
mass: 182.17180
IAO_0000115: An optically inactive hexitol having meso-configuration.
has db xref: Beilstein:1721903
formula: C6H14O6
has db xref: CAS:608-66-2
has alternative id: CHEBI:14286
id: CHEBI:16813
has alternative id: CHEBI:24139
has alternative id: CHEBI:5251
has alternative id: CHEBI:53575
has related synonym: D-Dulcitol
has related synonym: D-galactitol
has related synonym: Dulcitol
has related synonym: Dulcose
has related synonym: Euonymit
inchikey: FBPFZTCFMRRESA-GUCUJZIJSA-N
has exact synonym: Galactitol
has db xref: Gmelin:83163
has db xref: HMDB:HMDB0000107
inchi: InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5+,6-
has db xref: KEGG:C01697
has db xref: KNApSAcK:C00001160
has related synonym: L-galactitol
has related synonym: Melampyrin
has related synonym: Melampyrit
smiles: OC[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO
has db xref: PMID:16664750
has db xref: PMID:16901854
has db xref: PMID:17336832
has db xref: PMID:17979222
has db xref: PMID:21501963
has db xref: PMID:22155165
has db xref: PMID:22628202
has db xref: PMID:22654107
has db xref: PMID:23830453
has db xref: PMID:24643482
has db xref: Reaxys:1721903
has db xref: Wikipedia:Galactitol
has OBO namespace: chebi_ontology
has exact synonym: galactitol
has exact synonym: meso-galactitol
in subset: 3 STAR

corticosterone
type: Class
subclass of: primary alpha-hydroxy ketone
subclass of: glucocorticoid
subclass of: 21-hydroxy steroid
subclass of: 11beta-hydroxy steroid
subclass of: 20-oxo steroid
subclass of: 3-oxo-Delta(4) steroid
subclass of: C21-steroid
has related synonym: (11beta)-11,21-dihydroxypregn-4-ene-3,20-dione
charge: 0
has related synonym: 11beta,21-Dihydroxy-4-pregnene-3,20-dione
has exact synonym: 11beta,21-dihydroxypregn-4-ene-3,20-dione
has related synonym: 11beta,21-dihydroxyprogesterone
has related synonym: 17-deoxycortisol
monoisotopicmass: 346.214
mass: 346.46050
IAO_0000115: A 21-hydroxy steroid that consists of pregn-4-ene substituted by hydroxy groups at positions 11 and 21 and oxo groups at positions 3 and 20. Corticosterone is a 21-carbon steroid hormone of the corticosteroid type produced in the cortex of the adrenal glands.
has db xref: Beilstein:2339601
formula: C21H30O4
has db xref: CAS:50-22-6
has alternative id: CHEBI:14022
id: CHEBI:16827
has alternative id: CHEBI:19131
has alternative id: CHEBI:3891
has alternative id: CHEBI:41361
has alternative id: CHEBI:57911
has exact synonym: CORTICOSTERONE
has exact synonym: Corticosterone
has db xref: HMDB:HMDB0001547
inchi: InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-17,19,22,24H,3-8,10-11H2,1-2H3/t14-,15-,16+,17-,19+,20-,21-/m0/s1
has db xref: KEGG:C02140
has related synonym: Kendall's compound B
has db xref: LINCS:LSM-5814
has db xref: LIPID_MAPS_instance:LMST02030186
has db xref: MetaCyc:CORTICOSTERONE
inchikey: OMFXVFTZEKFJBZ-HJTSIMOOSA-N
has db xref: PDBeChem:C0R
has db xref: PMID:10438974
has db xref: PMID:11448093
has db xref: PMID:16817814
has db xref: PMID:24446162
has related synonym: Reichstein's substance H
has db xref: Wikipedia:Corticosterone
has OBO namespace: chebi_ontology
has exact synonym: corticosterone
in subset: 3 STAR

3-hydroxy-3-methylglutaric acid
type: Class
subclass of: tertiary alcohol
subclass of: dicarboxylic acid
subclass of: 3-hydroxy carboxylic acid
has related synonym: (S)-3-Hydroxy-3-methylglutaric acid
has related synonym: (S)-Meglutol
charge: 0
monoisotopicmass: 162.053
mass: 162.14060
has related synonym: 3-HYDROXY-3-METHYL-GLUTARIC ACID
has related synonym: 3-Hydroxy-3-methylpentanedioic acid
has exact synonym: 3-hydroxy-3-methylpentanedioic acid
IAO_0000115: A dicarboxylic acid that is glutaric acid in which one of the two hydrogens at position 3 is substituted by a hydroxy group, while the other is substituted by a methyl group. It has been found to accumulate in urine of patients suffering from HMG-CoA lyase (3-hydroxy-3-methylglutaryl-CoA lyase, EC 4.1.3.4) deficiency. It occurs as a plant metabolite in Crotalaria dura.
has db xref: Beilstein:1769194
formula: C6H10O5
has db xref: CAS:503-49-1
smiles: CC(O)(CC(O)=O)CC(O)=O
has alternative id: CHEBI:11044
has alternative id: CHEBI:1524
id: CHEBI:16831
has alternative id: CHEBI:18746
has alternative id: CHEBI:20043
has alternative id: CHEBI:391
has alternative id: CHEBI:43804
has related synonym: Dicrotalic acid
has db xref: DrugBank:DB04377
has db xref: Drug_Central:1670
has db xref: HMDB:HMDB0000355
inchi: InChI=1S/C6H10O5/c1-6(11,2-4(7)8)3-5(9)10/h11H,2-3H2,1H3,(H,7,8)(H,9,10)
has db xref: KEGG:C03761
has db xref: KEGG:D04897
has db xref: KNApSAcK:C00001187
has db xref: MetaCyc:CPD-547
inchikey: NPOAOTPXWNWTSH-UHFFFAOYSA-N
has db xref: PDBeChem:MAH
has db xref: PMID:10916782
has db xref: PMID:17941049
has db xref: PMID:3063529
has db xref: PMID:4717513
has db xref: PMID:6083597
has db xref: PMID:9658458
has db xref: Reaxys:1769194
has related synonym: beta-Hydroxy-beta-methylglutaric acid
has related synonym: beta-hydroxy-beta-methylglutaric acid
has OBO namespace: chebi_ontology
has related synonym: meglutol
has related synonym: meglutolum
in subset: 3 STAR

glutathione
type: Class
subclass of: thiol
subclass of: tripeptide
subclass of: L-cysteine derivative
charge: 0
monoisotopicmass: 307.084
mass: 307.325
has related synonym: 5-L-Glutamyl-L-cysteinylglycine
IAO_0000115: A tripeptide compound consisting of glutamic acid attached via its side chain to the N-terminus of cysteinylglycine.
formula: C10H17N3O6S
has db xref: CAS:70-18-8
has alternative id: CHEBI:12402
has alternative id: CHEBI:14327
id: CHEBI:16856
has alternative id: CHEBI:24334
has alternative id: CHEBI:42873
has alternative id: CHEBI:43049
has alternative id: CHEBI:5437
has db xref: DrugBank:DB00143
has db xref: Drug_Central:1312
has related synonym: GSH
has exact synonym: Glutathione
has related synonym: Glutathione-SH
has db xref: HMDB:HMDB0000125
inchi: InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1
has db xref: KEGG:C00051
has db xref: KEGG:D00014
has db xref: KNApSAcK:C00001518
has exact synonym: L-gamma-glutamyl-L-cysteinylglycine
has db xref: MetaCyc:GLUTATHIONE
has related synonym: N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine
has db xref: PDBeChem:GSH
has db xref: PMID:17439666
has db xref: PMID:4200890
has db xref: PMID:4745654
inchikey: RWSXRVCMGQZWBV-WDSKDSINSA-N
has db xref: Reaxys:1729812
has related synonym: Reduced glutathione
has db xref: Wikipedia:Glutathione
has OBO namespace: chebi_ontology
has related synonym: gamma-L-Glutamyl-L-cysteinyl-glycine
in subset: 3 STAR

nucleoside diphosphate
type: Class
subclass of: nucleoside phosphate
charge: 0
monoisotopicmass: 292.983
mass: 293.08240
formula: C5H11O10P2R
has alternative id: CHEBI:13401
has alternative id: CHEBI:13662
has alternative id: CHEBI:14675
id: CHEBI:16862
has alternative id: CHEBI:25606
has alternative id: CHEBI:7428
has alternative id: CHEBI:7652
has db xref: KEGG:C00454
has related synonym: NDP
has exact synonym: Nucleoside diphosphate
has OBO namespace: chebi_ontology
has related synonym: nucleoside diphosphates
in subset: 3 STAR

gamma-aminobutyric acid
type: Class
subclass of: monocarboxylic acid
subclass of: gamma-amino acid
charge: 0
monoisotopicmass: 103.063
mass: 103.11980
has related synonym: 4-Aminobutanoic acid
has related synonym: 4-Aminobutyric acid
has exact synonym: 4-aminobutanoic acid
has related synonym: 4-aminobutanoic acid
has related synonym: 4-aminobutyric acid
has related synonym: 4Abu
IAO_0000115: A gamma-amino acid that is butanoic acid with the amino substituent located at C-4.
has db xref: BPDB:2298
inchikey: BTCSSZJGUNDROE-UHFFFAOYSA-N
has db xref: Beilstein:906818
formula: C4H9NO2
has db xref: CAS:56-12-2
id: CHEBI:16865
has alternative id: CHEBI:1786
has alternative id: CHEBI:193777
has alternative id: CHEBI:20318
has alternative id: CHEBI:40483
has db xref: DrugBank:DB02530
has db xref: Drug_Central:1262
has related synonym: GABA
has related synonym: GAMMA-AMINO-BUTANOIC ACID
has db xref: Gmelin:49775
has db xref: HMDB:HMDB0000112
inchi: InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)
has db xref: KEGG:C00334
has db xref: KEGG:D00058
has db xref: KNApSAcK:C00001337
has db xref: LIPID_MAPS_instance:LMFA01100039
has db xref: MetaCyc:4-AMINO-BUTYRATE
smiles: NCCCC(O)=O
has db xref: PDBeChem:ABU
has db xref: PMID:10630630
has db xref: PMID:10930630
has db xref: PMID:16276116
has db xref: PMID:21614609
has db xref: PMID:22770225
has db xref: Reaxys:906818
has db xref: Wikipedia:Gamma-Aminobutyric_acid
has OBO namespace: chebi_ontology
has related synonym: gamma-Aminobuttersaeure
has exact synonym: gamma-Aminobutyric acid
has related synonym: gamma-amino-n-butyric acid
has related synonym: gamma-aminobutanoic acid
has exact synonym: gamma-aminobutyric acid
has related synonym: omega-aminobutyric acid
has related synonym: piperidic acid
has related synonym: piperidinic acid
in subset: 3 STAR

creatine
type: Class
subclass of: glycine derivative
subclass of: guanidines
has related synonym: ((amino(imino)methyl)(methyl)amino)acetic acid
has related synonym: (N-methylcarbamimidamido)acetic acid
has related synonym: (alpha-methylguanido)acetic acid
charge: 0
monoisotopicmass: 131.069
mass: 131.13328
IAO_0000115: A glycine derivative having methyl and amidino groups attached to the nitrogen.
has db xref: Beilstein:907175
formula: C4H9N3O2
has db xref: CAS:57-00-1
has alternative id: CHEBI:14028
id: CHEBI:16919
has alternative id: CHEBI:23404
has alternative id: CHEBI:3909
has alternative id: CHEBI:41678
smiles: CN(CC(O)=O)C(N)=N
inchikey: CVSVTCORWBXHQV-UHFFFAOYSA-N
has related synonym: Creatin
has exact synonym: Creatine
has db xref: DrugBank:DB00148
has db xref: Drug_Central:4661
has db xref: Gmelin:240513
has db xref: HMDB:HMDB0000064
inchi: InChI=1S/C4H9N3O2/c1-7(4(5)6)2-3(8)9/h2H2,1H3,(H3,5,6)(H,8,9)
has db xref: KEGG:C00300
has related synonym: Kreatin
has db xref: MetaCyc:CREATINE
has related synonym: Methylglycocyamine
has related synonym: N-(aminoiminomethyl)-N-methylglycine
has related synonym: N-Methyl-N-guanylglycine
has related synonym: N-[(E)-AMINO(IMINO)METHYL]-N-METHYLGLYCINE
has exact synonym: N-[amino(imino)methyl]-N-methylglycine
has related synonym: N-amidinosarcosine
has related synonym: N-carbamimidoyl-N-methylglycine
has related synonym: N-methyl-N-guanylglycine
has db xref: PDBeChem:CRN
has db xref: PMID:11356982
has db xref: PMID:11483809
has db xref: PMID:11867929
has db xref: PMID:12085493
has db xref: PMID:12184144
has db xref: PMID:12878267
has db xref: PMID:16445883
has db xref: PMID:17190852
has db xref: PMID:17253521
has db xref: PMID:18555535
has db xref: PMID:19082141
has db xref: PMID:19651674
has db xref: PMID:19741514
has db xref: PMID:19968328
has db xref: PMID:21556832
has db xref: PMID:21660517
has db xref: PMID:21698493
has db xref: PMID:22038587
has db xref: PMID:22101931
has db xref: PMID:22196490
has db xref: PMID:22252611
has db xref: PMID:22347384
has db xref: PMID:22386973
has db xref: PMID:22422801
has db xref: PMID:22429992
has db xref: PMID:22465051
has db xref: PMID:22521466
has db xref: PMID:7752905
has db xref: Reaxys:907175
has db xref: Wikipedia:Creatine
has related synonym: alpha-Methylguanidino acetic acid
has OBO namespace: chebi_ontology
in subset: 3 STAR

5-oxo-D-proline
type: Class
subclass of: 5-oxoproline
subclass of: D-proline derivative
has exact synonym: (2R)-5-oxopyrrolidine-2-carboxylic acid
charge: 0
monoisotopicmass: 129.043
mass: 129.11400
has exact synonym: 5-Oxo-D-proline
has exact synonym: 5-oxo-D-proline
has db xref: Beilstein:82133
formula: C5H7NO3
has db xref: CAS:4042-36-8
has alternative id: CHEBI:12152
id: CHEBI:16924
has alternative id: CHEBI:20618
has alternative id: CHEBI:2112
has related synonym: D-5-Pyrrolidone-2-carboxylic acid
has related synonym: D-Pyroglutamic acid
has db xref: DrugBank:DB03088
has db xref: Gmelin:1473408
has db xref: HMDB:HMDB0000267
inchi: InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m1/s1
has db xref: KEGG:C02237
has db xref: MetaCyc:CPD-656
smiles: OC(=O)[C@H]1CCC(=O)N1
inchikey: ODHCTXKNWHHXJC-GSVOUGTGSA-N
has db xref: PMID:22770225
has db xref: Reaxys:82133
IAO_0000115: The D-enantiomer of 5-oxoproline.
has OBO namespace: chebi_ontology
in subset: 3 STAR

citrate(3-)
type: Class
subclass of: citrate anion
subclass of: tricarboxylic acid trianion
charge: -3
monoisotopicmass: 189.004
mass: 189.09970
has related synonym: 2-hydroxy-1,2,3-propanetricarboxylate
has related synonym: 2-hydroxy-1,2,3-propanetricarboxylate(3-)
has related synonym: 2-hydroxy-1,2,3-propanetricarboxylic acid, ion(3-)
has exact synonym: 2-hydroxypropane-1,2,3-tricarboxylate
has related synonym: 2-hydroxytricarballylate
IAO_0000115: A tricarboxylic acid trianion, obtained by deprotonation of the three carboxy groups of citric acid.
has db xref: Beilstein:1884707
formula: C6H5O7
has db xref: CAS:126-44-3
has alternative id: CHEBI:13999
id: CHEBI:16947
has alternative id: CHEBI:23321
has alternative id: CHEBI:42563
has related synonym: CITRATE ANION
has db xref: Gmelin:4239
inchi: InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3
has db xref: KEGG:C00158
inchikey: KRKNYBCHXYNGOX-UHFFFAOYSA-K
smiles: OC(CC([O-])=O)(CC([O-])=O)C([O-])=O
has db xref: PDBeChem:FLC
has db xref: Reaxys:1884707
has OBO namespace: chebi_ontology
has related synonym: cit
has related synonym: cit(3-)
has related synonym: citrate
in subset: 3 STAR

beta-alanine
type: Class
subclass of: beta-amino acid
charge: 0
has related synonym: 3-Aminopropionic acid
has exact synonym: 3-aminopropanoic acid
has related synonym: 3-aminopropanoic acid
monoisotopicmass: 89.048
mass: 89.09322
IAO_0000115: A naturally-occurring beta-amino acid comprising propionic acid with the amino group in the 3-position.
has exact synonym: BETA-ALANINE
has db xref: Beilstein:906793
formula: C3H7NO2
has db xref: CAS:107-95-9
has alternative id: CHEBI:10343
has alternative id: CHEBI:12389
id: CHEBI:16958
has alternative id: CHEBI:22821
has alternative id: CHEBI:41050
has db xref: DrugBank:DB03107
has db xref: Gmelin:49614
has related synonym: H-beta-Ala-OH
has db xref: HMDB:HMDB0000056
inchi: InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)
has db xref: KEGG:C00099
has db xref: KEGG:D07561
has db xref: KNApSAcK:C00001333
has db xref: MetaCyc:B-ALANINE
smiles: NCCC(O)=O
has db xref: PDBeChem:BAL
has db xref: PMID:11139233
has db xref: PMID:11850512
has db xref: PMID:12107759
has db xref: PMID:12887142
has db xref: PMID:14363188
has db xref: PMID:16934791
has db xref: PMID:18528519
has db xref: PMID:18613640
has db xref: PMID:19239140
has db xref: PMID:19955842
has db xref: PMID:20199122
has db xref: PMID:20386120
has db xref: PMID:20479615
has db xref: PMID:20994958
has db xref: PMID:22735334
has db xref: Reaxys:906793
inchikey: UCMIRNVEIXFBKS-UHFFFAOYSA-N
has db xref: Wikipedia:Beta-Alanine
has related synonym: bAla
has exact synonym: beta-Alanine
has exact synonym: beta-alanine
has related synonym: beta-aminopropionic acid
has OBO namespace: chebi_ontology
has related synonym: omega-aminopropionic acid
in subset: 3 STAR

11-deoxycorticosterone
type: Class
subclass of: primary alpha-hydroxy ketone
subclass of: mineralocorticoid
subclass of: 21-hydroxy steroid
subclass of: 20-oxo steroid
subclass of: 3-oxo-Delta(4) steroid
charge: 0
has exact synonym: 11-Deoxycorticosterone
has related synonym: 21-Hydroxy-4-pregnene-3,20-dione
has exact synonym: 21-hydroxypregn-4-ene-3,20-dione
has related synonym: 21-hydroxyprogesterone
monoisotopicmass: 330.219
mass: 330.46110
has related synonym: 4-pregnen-21-ol-3,20-dione
IAO_0000115: A mineralocorticoid that is progesterone substituted at position 21 by a hydroxy group.
has db xref: Beilstein:2062123
formula: C21H30O3
has db xref: CAS:64-85-7
has alternative id: CHEBI:11314
id: CHEBI:16973
has alternative id: CHEBI:19123
has alternative id: CHEBI:39642
has alternative id: CHEBI:713
has alternative id: CHEBI:86536
has related synonym: Cortexone
has related synonym: DESOXYCORTICOSTERONE
has related synonym: DOC
has related synonym: Deoxycorticosterone
has related synonym: Desoxycortone
has db xref: Drug_Central:820
inchi: InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1
has db xref: KEGG:C03205
has db xref: KEGG:D07792
has related synonym: Kendall's desoxy compound B
has db xref: LIPID_MAPS_instance:LMST02030087
has db xref: MetaCyc:11-DEOXYCORTICOSTERONE
has db xref: PDBeChem:1CA
has db xref: PMID:22770225
has db xref: Reaxys:2062123
has related synonym: Reichstein's substance Q
has db xref: Wikipedia:Desoxycorticosterone
inchikey: ZESRJSPZRDMNHY-YFWFAHHUSA-N
has OBO namespace: chebi_ontology
has related synonym: desoxycortone
in subset: 3 STAR

D-ribose
type: Class
subclass of: ribose
charge: 0
mass: 150.12990
IAO_0000115: A ribose in which the chiral carbon atom furthest away from the aldehyde group (C4') has the same configuration as in D-glyceraldehyde.
formula: C5H10O5
has alternative id: CHEBI:13011
id: CHEBI:16988
has alternative id: CHEBI:21078
has related synonym: D-Rib
has exact synonym: D-ribo-pentose
has exact synonym: D-ribose
has db xref: DrugBank:DB01936
has db xref: PMID:24404872
has db xref: PMID:24752650
has OBO namespace: chebi_ontology
in subset: 3 STAR

bilirubin IXalpha
type: Class
subclass of: dicarboxylic acid
subclass of: biladienes
subclass of: Restriction
  on property: has part
  some values from: 24G7 epitope
charge: 0
has related synonym: 1,10,19,22,23,24-hexahydro-2,7,13,17-tetramethyl-1,19-dioxo-3,18-divinylbiline-8,12-dipropionic acid
has related synonym: 2,17-diethenyl-1,10,19,22,23,24-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo-21H-biline-8,12-dipropanoic acid
has related synonym: 2,7,13,17-tetramethyl-1,19-dioxo-3,18-divinyl-1,10,19,22,23,24-hexahydro-21H-biline-8,12-dipropanoic acid
has exact synonym: 3,18-diethenyl-2,7,13,17-tetramethyl-1,19-dioxo-1,10,19,22,23,24-hexahydro-21H-biline-8,12-dipropanoic acid
monoisotopicmass: 584.263
mass: 584.66230
has related synonym: 8,12-bis(2-carboxyethyl)-2,7,13,17-tetramethyl-3,18-divinylbiladiene-ac-1,19(21H,24H)-dione
IAO_0000115: A member of the class of biladienes that is a linear tetrapyrrole with the dipyrrole units being of both exovinyl and endovinyl type. A product of heme degradation, it is produced in the reticuloendothelial system by the reduction of biliverdin and transported to the liver as a complex with serum albumin.
inchikey: BPYKTIZUTYGOLE-IFADSCNNSA-N
has db xref: Beilstein:74376
has related synonym: Bilirubin
formula: C33H36N4O6
has db xref: CAS:635-65-4
has alternative id: CHEBI:13898
id: CHEBI:16990
has alternative id: CHEBI:22870
has alternative id: CHEBI:3099
has db xref: Gmelin:411033
has db xref: HMDB:HMDB0000054
inchi: InChI=1S/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-14,34-35H,1-2,9-12,15H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-
has db xref: KEGG:C00486
has db xref: KNApSAcK:C00029828
has db xref: MetaCyc:BILIRUBIN
has db xref: PMID:12799017
has db xref: PMID:18442622
has db xref: PMID:23763371
has db xref: PMID:8605219
has db xref: PMID:9587403
has db xref: Reaxys:74376
has db xref: Wikipedia:Bilirubin
has exact synonym: bilirubin
has related synonym: bilirubin(Z,Z)
has related synonym: bilirubin-IXalpha
has OBO namespace: chebi_ontology
in subset: 3 STAR

oxalic acid
type: Class
subclass of: alpha,omega-dicarboxylic acid
charge: 0
monoisotopicmass: 89.995
mass: 90.03490
IAO_0000115: An alpha,omega-dicarboxylic acid that is ethane substituted by carboxyl groups at positions 1 and 2.
has db xref: Beilstein:385686
formula: C2H2O4
has db xref: CAS:144-62-7
id: CHEBI:16995
has alternative id: CHEBI:25730
has alternative id: CHEBI:44583
has alternative id: CHEBI:7811
has db xref: DrugBank:DB03902
has related synonym: Ethandisaeure
has related synonym: Ethanedioic acid
has db xref: Gmelin:2208
has related synonym: H2ox
has db xref: HMDB:HMDB0002329
has related synonym: HOOCCOOH
inchi: InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)
has db xref: KEGG:C00209
has db xref: KNApSAcK:C00001198
has db xref: LIPID_MAPS_instance:LMFA01170031
inchikey: MUBZPKHOEPUJKR-UHFFFAOYSA-N
has db xref: MetaCyc:OXALATE
smiles: OC(=O)C(O)=O
has exact synonym: OXALIC ACID
has exact synonym: Oxalic acid
has related synonym: Oxalsaeure
has db xref: PDBeChem:OXD
has db xref: PMID:15587083
has db xref: PMID:22735334
has db xref: Reaxys:385686
has db xref: Wikipedia:Oxalic_acid
has OBO namespace: chebi_ontology
has related synonym: ethane-1,2-dioic acid
has exact synonym: oxalic acid
in subset: 3 STAR

propane-1,2-diol
type: Class
subclass of: glycol
subclass of: propane-1,2-diols
charge: 0
has related synonym: 1,2-Propanediol
has related synonym: 1,2-Propylenglykol
has related synonym: 1,2-dihydroxypropane
has related synonym: 2-hydroxypropanol
monoisotopicmass: 76.052
mass: 76.09442
formula: C3H8O2
has db xref: CAS:57-55-6
smiles: CC(O)CO
has related synonym: CH3CH(OH)CH2OH
has alternative id: CHEBI:14899
id: CHEBI:16997
has alternative id: CHEBI:8469
inchikey: DNIAPMSPPWPWGF-UHFFFAOYSA-N
has db xref: DrugBank:DB01839
has db xref: Drug_Central:4024
has db xref: HMDB:HMDB0001881
has related synonym: HOCH2CH(OH)CH3
has related synonym: HOCH2CH(OH)Me
inchi: InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3
has db xref: KEGG:C00583
has db xref: KEGG:D00078
has db xref: KNApSAcK:C00007410
has db xref: LINCS:LSM-36856
has related synonym: MeCH(OH)CH2OH
has db xref: PMID:15665701
has db xref: PMID:16078503
has db xref: PMID:18346395
has db xref: PMID:18845115
has db xref: PMID:21616561
has related synonym: PPD
has db xref: PPDB:1304
has exact synonym: Propane-1,2-diol
has related synonym: Propylene glycol
has db xref: Reaxys:1340498
IAO_0000115: The simplest member of the class of propane-1,2-diols, consisting of propane in which a hydrogen at position 1 and a hydrogen at position 2 are substituted by hydroxy groups. A colourless, viscous, hygroscopic, low-melting (-59degreeC) and high-boiling (188degreeC) liquid with low toxicity, it is used as a solvent, emulsifying agent, and antifreeze.
has db xref: VSDB:1304
has db xref: Wikipedia:Propylene_glycol
has related synonym: alpha-propyleneglycol
has OBO namespace: chebi_ontology
has related synonym: isopropylene glycol
has related synonym: methyl glycol
has related synonym: methylethyl glycol
has related synonym: methylethylene glycol
has related synonym: monopropylene glycol
has exact synonym: propane-1,2-diol
in subset: 3 STAR

cholesteryl ester
type: Class
subclass of: sterol ester
charge: 0
monoisotopicmass: 413.342
mass: 413.65570
IAO_0000115: A sterol ester obtained by formal condensation of the carboxy group of any carboxylic acid with the 3-hydroxy group of cholesterol.
formula: C28H45O2R
has alternative id: CHEBI:13983
id: CHEBI:17002
has alternative id: CHEBI:23205
has alternative id: CHEBI:3660
has related synonym: Cholesterol ester
has db xref: KEGG:C02530
has related synonym: a cholesterol ester
has OBO namespace: chebi_ontology
has related synonym: cholesterol esters
has related synonym: cholesteryl esters
in subset: 3 STAR

N-acetylneuraminic acid
type: Class
subclass of: N-acetylneuraminic acids
charge: 0
monoisotopicmass: 309.106
mass: 309.26990
has related synonym: 5-Acetamido-3,5-dideoxy-D-glycero-D-galacto-2-nonulosonic acid
has exact synonym: 5-acetamido-3,5-dideoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid
has related synonym: Aceneuramic acid
IAO_0000115: An N-acylneuraminic acid where the N-acyl group is specified as acetyl.
has db xref: Beilstein:2951361
formula: C11H19NO9
has db xref: CAS:131-48-6
id: CHEBI:17012
has alternative id: CHEBI:21620
has alternative id: CHEBI:7214
inchi: InChI=1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,7+,8+,9+,11?/m0/s1
has db xref: KEGG:C00270
has db xref: KNApSAcK:C00019584
has exact synonym: N-Acetylneuraminic acid
has related synonym: Neu5Ac
has related synonym: NeuAc
has related synonym: O-sialic acid
has db xref: PMID:14960498
has db xref: PMID:16209099
has db xref: PMID:16624269
has db xref: PMID:18487279
has db xref: PMID:19329108
has db xref: PMID:7508418
has db xref: Reaxys:1398688
inchikey: SQVRNKJHWKZAKO-LUWBGTNYSA-N
has db xref: Wikipedia:N-acetylneuraminic_acid
has related synonym: aceneuramic acid
has related synonym: acide aceneuramique
has related synonym: acidium aceneuramicum
has related synonym: acido aceneuramico
has OBO namespace: chebi_ontology
in subset: 3 STAR

progesterone
type: Class
subclass of: 20-oxo steroid
subclass of: 3-oxo-Delta(4) steroid
subclass of: C21-steroid hormone
has related synonym: (S)-4-Pregnene-3,20-dione
has related synonym: (S)-Pregn-4-en-3,20-dione
has related synonym: (S)-Progesterone
charge: 0
has related synonym: 17alpha-progesterone
monoisotopicmass: 314.225
mass: 314.46170
has related synonym: 4-Pregnene-3,20-dione
IAO_0000115: A C21-steroid hormone in which a pregnane skeleton carries oxo substituents at positions 3 and 20 and is unsaturated at C(4)-C(5). As a hormone, it is involved in the female menstrual cycle, pregnancy and embryogenesis of humans and other species.
has related synonym: Agolutin
has related synonym: Akrolutin
has db xref: Beilstein:1915950
formula: C21H30O2
has db xref: CAS:57-83-0
has alternative id: CHEBI:14896
id: CHEBI:17026
has alternative id: CHEBI:18798
has alternative id: CHEBI:26269
has alternative id: CHEBI:439
has alternative id: CHEBI:45786
has alternative id: CHEBI:8453
has related synonym: Crinone
has related synonym: Delta(4)-pregnene-3,20-dione
has db xref: DrugBank:DB00396
has db xref: Drug_Central:2279
has related synonym: Gelbkoerperhormon
has db xref: Gmelin:708590
has db xref: HMDB:HMDB0001830
inchi: InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1
has db xref: KEGG:C00410
has db xref: KEGG:D00066
has db xref: MetaCyc:PROGESTERONE
has db xref: PDBeChem:STR
has db xref: PMID:10438974
has db xref: PMID:9506942
has exact synonym: PROGESTERONE
has related synonym: Progesteron
has exact synonym: Progesterone
inchikey: RJKFOVLPORLFTN-LEKSSAKUSA-N
has db xref: Reaxys:1915950
has db xref: Wikipedia:Progesterone
has OBO namespace: chebi_ontology
has related synonym: corpus luteum hormone
has related synonym: luteohormone
has exact synonym: pregn-4-ene-3,20-dione
has exact synonym: progesterone
in subset: 3 STAR

chitin
type: Class
subclass of: N-acylglucosamine
subclass of: aminoglycan
has exact synonym: (1->4)-2-acetamido-2-deoxy-beta-D-glucan
charge: 0
IAO_0000115: An aminoglycan consisting of beta-(1->4)-linked N-acetyl-D-glucosamine residues.
has db xref: CAS:1398-61-4
has alternative id: CHEBI:13962
id: CHEBI:17029
has alternative id: CHEBI:23099
has alternative id: CHEBI:3596
has exact synonym: Chitin
formula: H2O(C8H13NO5)n
has db xref: KEGG:C00461
has db xref: KEGG:G10483
has related synonym: [1,4-(N-Acetyl-beta-D-glucosaminyl)]n
has related synonym: [4)-beta-D-GlcpNAc(1->]n
has related synonym: beta-1,4-Poly-N-acetyl-D-glucosamine
has OBO namespace: chebi_ontology
has exact synonym: chitin
in subset: 3 STAR

primary aliphatic amine
type: Class
subclass of: primary amine
charge: 0
monoisotopicmass: 30.034
mass: 30.04920
formula: CH4NR
has alternative id: CHEBI:13431
id: CHEBI:17062
has alternative id: CHEBI:8749
has db xref: KEGG:C00375
smiles: NC[*]
has related synonym: RCH2NH2
has OBO namespace: chebi_ontology
has related synonym: primary aliphatic amines
in subset: 3 STAR

2-hydroxyglutaric acid
type: Class
subclass of: 2-hydroxydicarboxylic acid
charge: 0
monoisotopicmass: 148.037
mass: 148.11402
has exact synonym: 2-hydroxyglutaric acid
has exact synonym: 2-hydroxypentanedioic acid
IAO_0000115: A 2-hydroxydicarboxylic acid that is glutaric acid in which one hydrogen alpha- to a carboxylic acid group is substituted by a hydroxy group.
has db xref: Beilstein:1723805
formula: C5H8O5
has db xref: CAS:2889-31-8
has alternative id: CHEBI:1160
id: CHEBI:17084
inchikey: HWXBTNAVRSUOJR-UHFFFAOYSA-N
inchi: InChI=1S/C5H8O5/c6-3(5(9)10)1-2-4(7)8/h3,6H,1-2H2,(H,7,8)(H,9,10)
has db xref: KEGG:C02630
has db xref: MetaCyc:2-HYDROXYGLUTARIC_ACID
smiles: OC(CCC(O)=O)C(O)=O
has db xref: PMID:17439666
has db xref: Reaxys:1723805
has db xref: Wikipedia:Alpha-Hydroxyglutaric_acid
has related synonym: alpha-hydroxyglutaric acid
has OBO namespace: chebi_ontology
in subset: 3 STAR

ketone
type: Class
subclass of: carbonyl compound
charge: 0
monoisotopicmass: 27.995
IAO_0000115: A compound in which a carbonyl group is bonded to two carbon atoms: R2C=O (neither R may be H).
has alternative id: CHEBI:13427
has alternative id: CHEBI:13646
id: CHEBI:17087
has alternative id: CHEBI:24974
has alternative id: CHEBI:6127
has alternative id: CHEBI:8742
formula: COR2
has db xref: KEGG:C01450
has related synonym: Keton
has exact synonym: Ketone
has related synonym: R-CO-R'
has db xref: Wikipedia:Ketone
smiles: [*]C([*])=O
has related synonym: a ketone
has related synonym: cetone
has OBO namespace: chebi_ontology
has exact synonym: ketones
has related synonym: ketones
in subset: 3 STAR

glycoprotein
type: Class
subclass of: conjugated protein
subclass of: carbohydrate derivative
IAO_0000115: A compound in which a carbohydrate component is covalently bound to a protein component.
has alternative id: CHEBI:14349
id: CHEBI:17089
has alternative id: CHEBI:5481
has alternative id: CHEBI:5493
has exact synonym: Glycoprotein
has related synonym: Glykoprotein
has related synonym: Glykoproteine
has db xref: KEGG:C00326
has OBO namespace: chebi_ontology
has related synonym: glicoproteina
has related synonym: glicoproteinas
has related synonym: glycoproteine
has related synonym: glycoproteines
has exact synonym: glycoproteins
in subset: 3 STAR

erythritol
type: Class
subclass of: butane-1,2,3,4-tetrol
has related synonym: (2R,3S)-butane-1,2,3,4-tetrol
charge: 0
monoisotopicmass: 122.058
mass: 122.11980
has db xref: Beilstein:1719753
formula: C4H10O4
has db xref: CAS:149-32-6
has alternative id: CHEBI:14215
id: CHEBI:17113
has alternative id: CHEBI:23946
has alternative id: CHEBI:372804
has alternative id: CHEBI:44263
has alternative id: CHEBI:4840
has db xref: DrugBank:DB04481
has related synonym: Erythrit
has related synonym: Erythrite
has exact synonym: Erythritol
has related synonym: Erythrol
has db xref: Gmelin:82499
has db xref: HMDB:HMDB0002994
inchi: InChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2/t3-,4+
has db xref: KEGG:C00503
has db xref: KNApSAcK:C00001161
has related synonym: L-erythritol
has related synonym: MESO-ERYTHRITOL
has db xref: MetaCyc:ERYTHRITOL
smiles: OC[C@H](O)[C@H](O)CO
has db xref: PDBeChem:MRY
has db xref: PMID:12639570
has db xref: PMID:163226
has db xref: PMID:16901854
has db xref: PMID:17336832
has db xref: PMID:17979222
has db xref: PMID:18369603
has db xref: PMID:19632091
has db xref: PMID:22770225
has db xref: PMID:23421980
has db xref: PMID:23574577
has db xref: PMID:23890177
has db xref: PMID:24643482
has db xref: PMID:25108762
has db xref: PMID:9862657
has related synonym: Phycite
has related synonym: Phycitol
has db xref: Reaxys:1735878
IAO_0000115: The meso-diastereomer of butane-1,2,3,4-tetrol.
inchikey: UNXHWFMMPAWVPI-ZXZARUISSA-N
has db xref: Wikipedia:Erythritol
has OBO namespace: chebi_ontology
has exact synonym: erythritol
has related synonym: erythro-tetritol
has exact synonym: meso-erythritol
has related synonym: mesoerythritol
in subset: 3 STAR

hexanoate
type: Class
subclass of: short-chain fatty acid anion
subclass of: straight-chain saturated fatty acid anion
subclass of: fatty acid anion 6:0
charge: -1
has related synonym: 1-hexanoate
has related synonym: 1-pentacarboxylate
has related synonym: 1-pentanecarboxylate
monoisotopicmass: 115.076
mass: 115.15034
IAO_0000115: A short-chain fatty acid anion that is the conjugate base of hexanoic acid (also known as caproic acid).
has db xref: Beilstein:3601453
formula: C6H11O2
has db xref: CAS:151-33-7
smiles: CCCCCC([O-])=O
has related synonym: CH3-[CH2]4-COO(-)
has alternative id: CHEBI:14398
id: CHEBI:17120
has alternative id: CHEBI:24569
has db xref: ECMDB:ECMDB21229
inchikey: FUZZWVXGSFPDMH-UHFFFAOYSA-M
has db xref: Gmelin:326340
inchi: InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)/p-1
has db xref: KEGG:C01585
has db xref: MetaCyc:HEXANOATE
has related synonym: butylacetate
has related synonym: caproate
has related synonym: capronate
has OBO namespace: chebi_ontology
has exact synonym: hexanoate
has related synonym: hexoate
has related synonym: hexylate
has related synonym: n-caproate
has related synonym: n-hexanoate
has related synonym: n-hexoate
has related synonym: n-hexylate
has related synonym: nPnCO2 anion
has related synonym: pentanecarboxylate
has related synonym: pentylformate
in subset: 3 STAR

carnitine
type: Class
subclass of: amino-acid betaine
charge: 0
monoisotopicmass: 161.105
mass: 161.19894
has exact synonym: 3-hydroxy-4-(trimethylammonio)butanoate
IAO_0000115: An amino-acid betaine that is butanoate substituted with a hydroxy group at position C-3 and a trimethylammonium group at C-4.
has db xref: Beilstein:1866665
formula: C7H15NO3
has db xref: CAS:461-06-3
has alternative id: CHEBI:11817
has alternative id: CHEBI:13947
id: CHEBI:17126
has alternative id: CHEBI:20047
has alternative id: CHEBI:23038
smiles: C[N+](C)(C)CC(O)CC([O-])=O
has related synonym: D,L-carnitine
has db xref: DrugBank:DB02648
inchi: InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3
has db xref: KEGG:C00487
has db xref: MetaCyc:DL-CARNITINE
inchikey: PHIQHXFUZVPYII-UHFFFAOYSA-N
has db xref: PMID:22770225
has db xref: PMID:23868375
has db xref: Patent:US4255449
has db xref: Patent:US4315944
has db xref: Reaxys:1866665
has db xref: Wikipedia:Carnitine
has exact synonym: carnitine
has OBO namespace: chebi_ontology
in subset: 3 STAR

octopamine
type: Class
subclass of: phenylethanolamines
subclass of: tyramines
charge: 0
has related synonym: 1-(4-Hydroxyphenyl)-2-aminoethanol
has related synonym: 1-(p-hydroxyphenyl)-2-aminoethanol
monoisotopicmass: 153.079
mass: 153.17848
has exact synonym: 4-(2-amino-1-hydroxyethyl)phenol
has db xref: Beilstein:1211019
formula: C8H11NO2
has db xref: CAS:104-14-3
has alternative id: CHEBI:11191
id: CHEBI:17134
has alternative id: CHEBI:25655
has alternative id: CHEBI:571
has db xref: Drug_Central:3396
inchi: InChI=1S/C8H11NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H,5,9H2
has db xref: KEGG:C04227
has db xref: LINCS:LSM-4975
smiles: NCC(O)c1ccc(O)cc1
has related synonym: Octopamin
has exact synonym: Octopamine
IAO_0000115: Octopamine is a biogenic phenylethanolamine, which has been found to act as a neurotransmitter, neurohormone or neuromodulator in invertebrates.
inchikey: QHGUCRYDKWKLMG-UHFFFAOYSA-N
has related synonym: alpha-(aminomethyl)-4-hydroxybenzenemethanol
has related synonym: alpha-(aminomethyl)-p-hydroxybenzyl alcohol
has related synonym: beta-hydroxytyramine
has OBO namespace: chebi_ontology
has related synonym: norsynephrine
has related synonym: octopaminum
has related synonym: p-Hydroxyphenylethanolamine
in subset: 3 STAR

hydrogensulfite
type: Class
subclass of: sulfur oxoanion
charge: -1
monoisotopicmass: 80.965
mass: 81.07214
has related synonym: Bisulfite
has db xref: CAS:15181-46-1
has alternative id: CHEBI:13367
id: CHEBI:17137
has alternative id: CHEBI:5598
has db xref: Gmelin:1455
formula: HO3S
has related synonym: HSO3(-)
has related synonym: HSO3-
has related synonym: Hydrogen sulfite
inchi: InChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3)/p-1
has db xref: KEGG:C11481
inchikey: LSNNMFCWUKXFEE-UHFFFAOYSA-M
smiles: OS([O-])=O
has db xref: PDBeChem:SO3
has related synonym: [SO2(OH)](-)
has related synonym: bisulfite
has related synonym: bisulphite
has OBO namespace: chebi_ontology
has related synonym: hydrogen sulfite(1-)
has exact synonym: hydrogen(trioxidosulfate)(1-)
has exact synonym: hydrogensulfite(1-)
has exact synonym: hydrogentrioxosulfate(1-)
has exact synonym: hydrogentrioxosulfate(IV)
has related synonym: hydrosulfite anion
has exact synonym: hydroxidodioxidosulfate(1-)
has exact synonym: monohydrogentrioxosulfate
in subset: 3 STAR

xylitol
type: Class
subclass of: pentitol
has related synonym: (2R,3R,4S)-Pentane-1,2,3,4,5-pentaol
has exact synonym: (2R,3r,4S)-pentane-1,2,3,4,5-pentol
charge: 0
monoisotopicmass: 152.068
mass: 152.14580
IAO_0000115: A pentitol (five-carbon sugar alcohol) having meso-configuration, being derived from xylose by reduction of the carbonyl group.
has db xref: Beilstein:1720523
formula: C5H12O5
has db xref: CAS:87-99-0
has alternative id: CHEBI:10078
has alternative id: CHEBI:15328
id: CHEBI:17151
has alternative id: CHEBI:253147
has alternative id: CHEBI:27339
has alternative id: CHEBI:46522
has alternative id: CHEBI:60939
has related synonym: D-XYLITOL
has db xref: DrugBank:DB01904
has db xref: Drug_Central:4604
has db xref: Gmelin:82893
inchikey: HEBKCHPVOIAQTA-SCDXWVJYSA-N
has db xref: HMDB:HMDB0002917
inchi: InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4+,5+
has db xref: KEGG:C00379
has db xref: KEGG:D00061
has related synonym: L-xylitol
has db xref: MetaCyc:XYLITOL
smiles: OC[C@H](O)[C@@H](O)[C@H](O)CO
has db xref: PDBeChem:XYL
has db xref: PMID:11154411
has db xref: PMID:11163479
has db xref: PMID:12061879
has db xref: PMID:15377394
has db xref: PMID:16708791
has db xref: PMID:16901854
has db xref: PMID:17216457
has db xref: PMID:17216458
has db xref: PMID:17336832
has db xref: PMID:17979222
has db xref: PMID:18316079
has db xref: PMID:20030329
has db xref: PMID:22735334
has db xref: PMID:22791282
has db xref: PMID:23247825
has db xref: PMID:23287496
has db xref: PMID:23338824
has db xref: PMID:23589387
has db xref: PMID:23597921
has db xref: PMID:23615861
has db xref: PMID:23796483
has db xref: PMID:23916161
has db xref: PMID:23957303
has db xref: PMID:24012734
has db xref: PMID:24643482
has db xref: PMID:25108762
has db xref: Reaxys:1720523
has db xref: Wikipedia:Xylitol
has related synonym: Xylit
has exact synonym: Xylitol
has OBO namespace: chebi_ontology
has exact synonym: meso-xylitol
has related synonym: xylite
has exact synonym: xylitol
in subset: 3 STAR

nucleoside 5'-monophosphate
type: Class
subclass of: nucleoside phosphate
charge: 0
monoisotopicmass: 213.016
formula: C5H10O7PR
has alternative id: CHEBI:14676
id: CHEBI:17188
has alternative id: CHEBI:25607
has alternative id: CHEBI:7439
has alternative id: CHEBI:7653
has alternative id: CHEBI:7654
has db xref: KEGG:C01329
has db xref: KEGG:C02520
has related synonym: NMP
has related synonym: Nucleoside monophosphate
has related synonym: Nucleoside phosphate
has OBO namespace: chebi_ontology
has related synonym: nucleoside monophosphate
has related synonym: nucleoside monophosphates
in subset: 3 STAR

L-proline
type: Class
subclass of: L-alpha-amino acid
subclass of: glutamine family amino acid
subclass of: proline
subclass of: proteinogenic amino acid
has related synonym: (-)-(S)-proline
has related synonym: (-)-2-pyrrolidinecarboxylic acid
has related synonym: (-)-proline
has related synonym: (2S)-pyrrolidine-2-carboxylic acid
has related synonym: (S)-2-carboxypyrrolidine
has related synonym: (S)-2-pyrrolidinecarboxylic acid
has related synonym: (S)-pyrrolidine-2-carboxylic acid
charge: 0
monoisotopicmass: 115.063
mass: 115.13050
has related synonym: 2-Pyrrolidinecarboxylic acid
has db xref: Beilstein:80810
formula: C5H9NO2
has db xref: CAS:147-85-3
has alternative id: CHEBI:13154
id: CHEBI:17203
has alternative id: CHEBI:184637
has alternative id: CHEBI:21373
has alternative id: CHEBI:42067
has alternative id: CHEBI:45040
has alternative id: CHEBI:45100
has alternative id: CHEBI:45159
has alternative id: CHEBI:6286
has db xref: DrugBank:DB00172
has db xref: Drug_Central:4125
has db xref: Gmelin:50152
has db xref: HMDB:HMDB0000162
inchi: InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1
has db xref: KEGG:C00148
has db xref: KEGG:D00035
has db xref: KNApSAcK:C00001388
has related synonym: L-(-)-proline
has related synonym: L-Prolin
has exact synonym: L-Proline
has related synonym: L-alpha-pyrrolidinecarboxylic acid
has exact synonym: L-proline
has related synonym: L-pyrrolidine-2-carboxylic acid
has db xref: MetaCyc:PRO
smiles: OC(=O)[C@@H]1CCCN1
inchikey: ONIBWKKTOPOVIA-BYPYZUCNSA-N
has related synonym: P
has db xref: PDBeChem:PRO
has db xref: PMID:11076505
has db xref: PMID:12770004
has db xref: PMID:14975886
has db xref: PMID:15576824
has db xref: PMID:15838615
has db xref: PMID:15894682
has db xref: PMID:15973048
has db xref: PMID:16033917
has db xref: PMID:16190672
has db xref: PMID:16501220
has db xref: PMID:16656443
has db xref: PMID:16657874
has db xref: PMID:16668324
has db xref: PMID:17127472
has db xref: PMID:17608428
has db xref: PMID:18551589
has db xref: PMID:18802692
has db xref: PMID:18973300
has db xref: PMID:19215998
has db xref: PMID:19580280
has db xref: PMID:19656302
has db xref: PMID:19688381
has db xref: PMID:19811425
has db xref: PMID:22139509
has db xref: PMID:22201772
has db xref: PMID:22451406
has db xref: PMID:22475019
has db xref: PMID:22482728
has db xref: PMID:22491679
has db xref: PMID:22770225
has related synonym: PROLINE
IAO_0000115: Pyrrolidine in which the pro-S hydrogen at position 2 is substituted by a carboxylic acid group. L-Proline is the only one of the twenty DNA-encoded amino acids which has a secondary amino group alpha to the carboxyl group. It is an essential component of collagen and is important for proper functioning of joints and tendons. It also helps maintain and strengthen heart muscles.

3beta-hydroxy-Delta(5)-steroid
type: Class
subclass of: 3beta-hydroxy steroid
charge: 0
monoisotopicmass: 273.222
mass: 273.434
has related synonym: 3beta-hydroxy Delta(5)-steroids
has related synonym: 3beta-hydroxy-Delta(5)-steroids
IAO_0000115: Any 3beta-hydroxy-steroid that contains a double bond between positions 5 and 6.
formula: C19H29OR
has alternative id: CHEBI:13608
has alternative id: CHEBI:136845
id: CHEBI:1722
has alternative id: CHEBI:20245
has db xref: KEGG:C03836
has db xref: MetaCyc:3b-hydroxy-D5-steroids
has related synonym: a 3beta-hydroxy-Delta(5)-steroid
has OBO namespace: chebi_ontology
in subset: 3 STAR

homocysteine
type: Class
subclass of: homocysteines
subclass of: sulfur-containing amino acid
subclass of: non-proteinogenic alpha-amino acid
charge: 0
monoisotopicmass: 135.035
mass: 135.18580
has related synonym: 2-Amino-4-mercaptobutyric acid
has exact synonym: 2-amino-4-sulfanylbutanoic acid
IAO_0000115: A sulfur-containing amino acid consisting of a glycine core with a 2-mercaptoethyl side-chain.
formula: C4H9NO2S
has alternative id: CHEBI:14408
id: CHEBI:17230
has alternative id: CHEBI:5751
inchikey: FFFHZYDWPBMWHY-UHFFFAOYSA-N
has db xref: HMDB:HMDB0000742
has related synonym: Hcy
has exact synonym: Homocysteine
inchi: InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)
has db xref: KEGG:C05330
smiles: NC(CCS)C(O)=O
has db xref: PMID:11133260
has db xref: PMID:16596805
has db xref: PMID:18370634
has db xref: Wikipedia:Homocysteine
has OBO namespace: chebi_ontology
has exact synonym: homocysteine
in subset: 3 STAR

glucose
type: Class
subclass of: aldohexose
charge: 0
mass: 180.15588
IAO_0000115: An aldohexose used as a source of energy and metabolic intermediate.
formula: C6H12O6
has db xref: CAS:50-99-7
has alternative id: CHEBI:14313
id: CHEBI:17234
has alternative id: CHEBI:24277
has alternative id: CHEBI:33929
has alternative id: CHEBI:5418
has related synonym: DL-glucose
has related synonym: Glc
has exact synonym: Glucose
has related synonym: Glukose
has db xref: KEGG:C00293
has db xref: Wikipedia:Glucose
has OBO namespace: chebi_ontology
has exact synonym: gluco-hexose
has exact synonym: glucose
in subset: 3 STAR

7H-purine
type: Class
subclass of: purine
charge: 0
monoisotopicmass: 120.044
mass: 120.11222
has exact synonym: 7H-purine
has db xref: Beilstein:3200
formula: C5H4N4
has alternative id: CHEBI:14968
id: CHEBI:17258
has alternative id: CHEBI:8639
has db xref: Gmelin:601779
has db xref: HMDB:HMDB0001366
inchi: InChI=1S/C5H4N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3H,(H,6,7,8,9)
inchikey: KDCGOANMDULRCW-UHFFFAOYSA-N
has db xref: KEGG:C15587
has related synonym: Purine
has related synonym: Purine base
has db xref: Reaxys:3200
IAO_0000115: The 7H-tautomer of purine.
smiles: c1ncc2[nH]cnc2n1
has OBO namespace: chebi_ontology
in subset: 3 STAR

propionate
type: Class
subclass of: fatty acid anion 3:0
charge: -1
monoisotopicmass: 73.029
mass: 73.07060
has db xref: Beilstein:3587503
formula: C3H5O2
has db xref: CAS:72-03-7
smiles: CCC([O-])=O
has related synonym: CH3-CH2-COO(-)
has alternative id: CHEBI:14903
id: CHEBI:17272
has alternative id: CHEBI:26290
has related synonym: EtCO2 anion
has db xref: Gmelin:1820
inchi: InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)/p-1
has db xref: KEGG:C00163
has db xref: PMID:17951291
has db xref: PMID:18375549
has db xref: PMID:2647392
IAO_0000115: The conjugate base of propionic acid; a key precursor in lipid biosynthesis.
has db xref: UM-BBD_compID:c0277
inchikey: XBDQKXXYIPTUBI-UHFFFAOYSA-M
has related synonym: carboxylatoethane
has OBO namespace: chebi_ontology
has related synonym: ethanecarboxylate
has related synonym: ethylformate
has related synonym: metacetonate
has related synonym: methylacetate
has related synonym: propanate
has related synonym: propanoate
has exact synonym: propanoate
has related synonym: propanoic acid, ion(1-)
has exact synonym: propionate
has related synonym: pseudoacetate
in subset: 3 STAR

3-hydroxy-3-methylglutarate(2-)
type: Class
subclass of: 3-hydroxydicarboxylate(2-)
subclass of: dicarboxylic acid dianion
charge: -2
monoisotopicmass: 160.037
mass: 160.12470
has related synonym: 3-hydroxy-3-methylglutarate
has exact synonym: 3-hydroxy-3-methylpentanedioate
IAO_0000115: A dicarboxylic acid dianion that results from the removal of a proton from both of the carboxylic acid groups of 3-hydroxy-3-methylglutaric acid.
formula: C6H8O5
smiles: CC(O)(CC([O-])=O)CC([O-])=O
has alternative id: CHEBI:11813
id: CHEBI:17325
has alternative id: CHEBI:20042
inchi: InChI=1S/C6H10O5/c1-6(11,2-4(7)8)3-5(9)10/h11H,2-3H2,1H3,(H,7,8)(H,9,10)/p-2
has db xref: KEGG:C03761
has db xref: MetaCyc:CPD-547
inchikey: NPOAOTPXWNWTSH-UHFFFAOYSA-L
has OBO namespace: chebi_ontology
in subset: 3 STAR

nucleoside triphosphate
type: Class
subclass of: nucleoside phosphate
charge: 0
monoisotopicmass: 372.949
mass: 388.09680
formula: C5H12O13P3R
has alternative id: CHEBI:13411
has alternative id: CHEBI:14677
id: CHEBI:17326
has alternative id: CHEBI:25610
has alternative id: CHEBI:7442
has alternative id: CHEBI:7655
has db xref: KEGG:C00201
has related synonym: NTP
has exact synonym: Nucleoside triphosphate
has OBO namespace: chebi_ontology
has related synonym: nucleoside triphosphates
in subset: 3 STAR

all-trans-retinol
type: Class
subclass of: primary allylic alcohol
subclass of: retinol
has related synonym: (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-ol
charge: 0
monoisotopicmass: 286.230
mass: 286.45160
IAO_0000115: A retinol in which all four exocyclic double bonds have E- (trans-) geometry.
has related synonym: Alphalin
has db xref: Beilstein:403040
formula: C20H30O
has db xref: CAS:11103-57-4
has db xref: CAS:68-26-8
smiles: CC(\C=C\C=C(C)\C=C\C1=C(C)CCCC1(C)C)=C/CO
has alternative id: CHEBI:12783
id: CHEBI:17336
has alternative id: CHEBI:22349
has alternative id: CHEBI:8816
has related synonym: Chocola A
has db xref: DrugBank:DB00162
has db xref: Drug_Central:2831
inchikey: FPIPGXGPPPQFEQ-OVSJKPMPSA-N
has db xref: Gmelin:247497
inchi: InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+
has db xref: KEGG:C00473
has db xref: KEGG:C17276
has db xref: KEGG:D00069
has db xref: KEGG:D06543
has db xref: LIPID_MAPS_instance:LMPR01090000
has db xref: LIPID_MAPS_instance:LMPR01090001
has db xref: PDBeChem:RTL
has related synonym: Retinol
has related synonym: Vitamin A
has related synonym: Vitamin A1
has db xref: Wikipedia:Vitamin_A
has exact synonym: all-trans-Retinol
has exact synonym: all-trans-retinol
has related synonym: all-trans-retinyl alcohol
has related synonym: all-trans-vitamin A alcohol
has OBO namespace: chebi_ontology
in subset: 3 STAR

testosterone
type: Class
subclass of: C19-steroid
subclass of: 17beta-hydroxy steroid
subclass of: 3-oxo-Delta(4) steroid
subclass of: androstanoid
charge: 0
has related synonym: 17beta-Hydroxy-4-androsten-3-one
has related synonym: 17beta-hydroxy-4-androsten-3-one
has exact synonym: 17beta-hydroxyandrost-4-en-3-one
monoisotopicmass: 288.209
mass: 288.42440
has related synonym: 4-androsten-17beta-ol-3-one
IAO_0000115: An androstanoid having 17beta-hydroxy and 3-oxo groups, together with unsaturation at C-4-C-5..
has related synonym: Androderm
has db xref: Beilstein:1915399
has db xref: Beilstein:3653705
formula: C19H28O2
has db xref: CAS:58-22-0
has alternative id: CHEBI:15214
id: CHEBI:17347
has alternative id: CHEBI:26883
has alternative id: CHEBI:45798
has alternative id: CHEBI:9461
has db xref: DrugBank:DB00624
has db xref: Drug_Central:2607
has db xref: Gmelin:538843
has db xref: HMDB:HMDB0000234
inchi: InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1
has db xref: KEGG:C00535
has db xref: KEGG:D00075
has db xref: KNApSAcK:C00003675
has db xref: LIPID_MAPS_instance:LMST02020002
inchikey: MUMGGOZAMZWBJJ-DYKIIFRCSA-N
has db xref: PDBeChem:TES
has db xref: PMID:10438974
has db xref: PMID:11786693
has db xref: PMID:18900503
has db xref: PMID:24498482
has db xref: Reaxys:1915399
has exact synonym: TESTOSTERONE
has related synonym: Testosteron
has exact synonym: Testosterone
has db xref: Wikipedia:Testosterone
has OBO namespace: chebi_ontology
has related synonym: testosterona
has exact synonym: testosterone
has related synonym: testosterone
has related synonym: testosteronum
in subset: 3 STAR

sulfite
type: Class
subclass of: sulfur oxoanion
subclass of: sulfur oxide
subclass of: divalent inorganic anion
charge: -2
monoisotopicmass: 79.957
mass: 80.06420
has db xref: CAS:14265-45-3
has alternative id: CHEBI:15139
id: CHEBI:17359
has alternative id: CHEBI:45548
has db xref: Gmelin:1449
inchi: InChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3)/p-2
inchikey: LSNNMFCWUKXFEE-UHFFFAOYSA-L
formula: O3S
has db xref: PDBeChem:SO3
has related synonym: SO3
has related synonym: SO3(2-)
has related synonym: SULFITE ION
IAO_0000115: Sulfite is an inorganic anion, which is the conjugate base of hydrogen sulfite.
smiles: [O-]S([O-])=O
has related synonym: [SO3](2-)
has OBO namespace: chebi_ontology
has exact synonym: sulfite
has related synonym: sulphite
has exact synonym: trioxidosulfate(2-)
has exact synonym: trioxosulfate(2-)
has exact synonym: trioxosulfate(IV)
in subset: 3 STAR

hypoxanthine
type: Class
subclass of: oxopurine
subclass of: purine nucleobase
subclass of: nucleobase analogue
charge: 0
has exact synonym: 1,7-dihydro-6H-purin-6-one
monoisotopicmass: 136.039
mass: 136.11162
has related synonym: 6(1H)-purinone
has related synonym: 6-oxopurine
has related synonym: 9H-purin-6(1H)-one
IAO_0000115: A purine nucleobase that consists of purine bearing an oxo substituent at position 6.
has db xref: Beilstein:5811
formula: C5H4N4O
has db xref: CAS:68-94-0
has alternative id: CHEBI:14431
id: CHEBI:17368
has alternative id: CHEBI:24762
has alternative id: CHEBI:43237
has alternative id: CHEBI:5841
has db xref: DrugBank:DB04076
has db xref: ECMDB:ECMDB00157
inchikey: FDGQSTZJBFJUBT-UHFFFAOYSA-N
has db xref: Gmelin:464558
has db xref: HMDB:HMDB0000157
has exact synonym: HYPOXANTHINE
has related synonym: Hyp
has exact synonym: Hypoxanthine
inchi: InChI=1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)
has db xref: KEGG:C00262
has db xref: KNApSAcK:C00001502
has db xref: MetaCyc:HYPOXANTHINE
smiles: O=c1[nH]cnc2nc[nH]c12
has db xref: PDBeChem:HPA
has db xref: PMID:14253484
has db xref: PMID:22735334
has db xref: PMID:23400363
has db xref: PMID:23670363
has related synonym: Purine-6-ol
has db xref: Reaxys:5811
has db xref: Wikipedia:Hypoxanthine
has db xref: YMDB:YMDB00555
has OBO namespace: chebi_ontology
has exact synonym: hypoxanthine
has related synonym: purin-6(1H)-one
in subset: 3 STAR

(2S)-2-hydroxy monocarboxylic acid
type: Class
subclass of: 2-hydroxy monocarboxylic acid
has related synonym: (2S)-2-hydroxy monocarboxylic acids
has related synonym: (S)-2-Hydroxy acid
has related synonym: (S)-2-Hydroxyalkanoic acid
has related synonym: (S)-2-Hydroxycarboxylic acid
has related synonym: (S)-2-Hydroxymonocarboxylic acid
has related synonym: (S)-2-hydroxy acid
charge: 0
monoisotopicmass: 75.008
mass: 75.044
IAO_0000115: A 2-hydroxy monocarboxylic acid in which the carbon at position 2 has (S)-configuration.
smiles: C([C@@H](O)*)(=O)O
formula: C2H3O3R
has alternative id: CHEBI:11031
id: CHEBI:17375
has alternative id: CHEBI:18737
has alternative id: CHEBI:378
has alternative id: CHEBI:381
has OBO namespace: chebi_ontology
in subset: 3 STAR

cystine
type: Class
subclass of: cysteine derivative
subclass of: sulfur-containing amino acid
subclass of: organic disulfide
charge: 0
monoisotopicmass: 240.024
mass: 240.30256
has exact synonym: 3,3'-disulfanediylbis(2-aminopropanoic acid)
has related synonym: 3,3'-dithiobis(2-aminopropanoic acid)
IAO_0000115: A sulfur-containing amino acid obtained by the oxidation of two cysteine molecules which are then linked via a disulfide bond.
has db xref: Beilstein:1728091
formula: C6H12N2O4S2
has db xref: CAS:923-32-0
has alternative id: CHEBI:14062
id: CHEBI:17376
has alternative id: CHEBI:23513
has alternative id: CHEBI:4052
has related synonym: Cystin
has exact synonym: Cystine
has related synonym: Dicysteine
has db xref: Gmelin:83347
inchi: InChI=1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)
has db xref: KEGG:C01420
inchikey: LEVWYRKDKASIDU-UHFFFAOYSA-N
smiles: NC(CSSCC(N)C(O)=O)C(O)=O
has db xref: PMID:18608550
has db xref: PMID:24327171
has db xref: PMID:24525029
has db xref: PMID:24525030
has db xref: Reaxys:1728091
has db xref: Wikipedia:Cystine
has related synonym: Zystin
has related synonym: alpha-Diamino-beta-dithiolactic acid
has OBO namespace: chebi_ontology
has related synonym: cistina
has exact synonym: cystine
in subset: 3 STAR

porphobilinogen
type: Class
subclass of: pyrroles
subclass of: dicarboxylic acid
subclass of: aralkylamino compound
charge: 0
monoisotopicmass: 226.095
mass: 226.22924
has exact synonym: 3-[5-(aminomethyl)-4-(carboxymethyl)-1H-pyrrol-3-yl]propanoic acid
IAO_0000115: A dicarboxylic acid that is pyrole bearing aminomethyl, carboxymethyl and 2-carboxyethyl substituents at positions 2, 3 and 4 respectively.
has db xref: Beilstein:220051
formula: C10H14N2O4
has db xref: CAS:487-90-1
has alternative id: CHEBI:14867
id: CHEBI:17381
has alternative id: CHEBI:26212
has alternative id: CHEBI:44832
has alternative id: CHEBI:8335
has db xref: DrugBank:DB02272
has db xref: HMDB:HMDB0000245
inchi: InChI=1S/C10H14N2O4/c11-4-8-7(3-10(15)16)6(5-12-8)1-2-9(13)14/h5,12H,1-4,11H2,(H,13,14)(H,15,16)
has db xref: KEGG:C00931
has db xref: KNApSAcK:C00007339
has db xref: MetaCyc:PORPHOBILINOGEN
smiles: NCc1[nH]cc(CCC(O)=O)c1CC(O)=O
has db xref: PDBeChem:PBG
has db xref: PMID:21383008
has db xref: PMID:21627493
has db xref: PMID:22279024
has db xref: PMID:22740490
has db xref: PMID:22770225
has db xref: PMID:22974111
has exact synonym: Porphobilinogen
inchikey: QSHWIQZFGQKFMA-UHFFFAOYSA-N
has db xref: Reaxys:220051
has db xref: Wikipedia:Porphobilinogen
has OBO namespace: chebi_ontology
in subset: 3 STAR

valeric acid
type: Class
subclass of: short-chain fatty acid
subclass of: straight-chain saturated fatty acid
charge: 0
has related synonym: 1-butanecarboxylic acid
monoisotopicmass: 102.068
mass: 102.13170
IAO_0000115: A straight-chain saturated fatty acid containing five carbon atoms.
has db xref: Beilstein:969454
formula: C5H10O2
has db xref: CAS:109-52-4
smiles: CCCCC(O)=O
has related synonym: CH3-[CH2]3-COOH
has alternative id: CHEBI:113448
id: CHEBI:17418
has alternative id: CHEBI:27263
has alternative id: CHEBI:27264
has alternative id: CHEBI:43606
has alternative id: CHEBI:44803
has alternative id: CHEBI:7980
has db xref: DrugBank:DB02406
has db xref: Gmelin:26714
has db xref: HMDB:HMDB0000892
inchi: InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)
has db xref: KEGG:C00803
has db xref: KNApSAcK:C00001208
has db xref: LIPID_MAPS_instance:LMFA01010005
inchikey: NQPDZGIKBAWPEJ-UHFFFAOYSA-N
has db xref: PDBeChem:PEI
has related synonym: PENTANOIC ACID
has db xref: PMID:20507156
has db xref: PPDB:3130
has related synonym: Pentanoate
has related synonym: Pentanoic acid
has db xref: Reaxys:969454
has related synonym: Valerate
has related synonym: Valerianic acid
has related synonym: Valeriansaeure
has exact synonym: Valeric acid
has OBO namespace: chebi_ontology
has related synonym: n-BuCOOH
has related synonym: n-Pentanoate
has related synonym: n-Valeric acid
has related synonym: n-pentanoic acid
has related synonym: n-valeric acid
has exact synonym: pentanoic acid
has related synonym: pentoic acid
has related synonym: propylacetic acid
has related synonym: valeric acid, normal
in subset: 3 STAR

methylmalonate(2-)
type: Class
subclass of: C4-dicarboxylate
charge: -2
monoisotopicmass: 116.011
mass: 116.07216
IAO_0000115: A C4-dicarboxylate resulting from the removal of a proton from both carboxylic acid groups of methylmalonic acid.
has db xref: Beilstein:3904597
formula: C4H4O4
smiles: CC(C([O-])=O)C([O-])=O
has alternative id: CHEBI:14603
id: CHEBI:17453
has alternative id: CHEBI:25317
has db xref: Gmelin:142212
inchi: InChI=1S/C4H6O4/c1-2(3(5)6)4(7)8/h2H,1H3,(H,5,6)(H,7,8)/p-2
has db xref: KEGG:C02170
has db xref: MetaCyc:CPD-546
has db xref: Reaxys:3904597
inchikey: ZIYVHBGGAOATLY-UHFFFAOYSA-L
has OBO namespace: chebi_ontology
has related synonym: methylmalonate
has related synonym: methylmalonate dianion
has exact synonym: methylpropanedioate
in subset: 3 STAR

aldehyde
type: Class
subclass of: carbonyl compound
subclass of: Restriction
  on property: has part
  some values from: formyl group
charge: 0
monoisotopicmass: 29.003
mass: 29.01800
IAO_0000115: A compound RC(=O)H, in which a carbonyl group is bonded to one hydrogen atom and to one R group.
has related synonym: Aldehyd
has exact synonym: Aldehyde
has alternative id: CHEBI:13432
has alternative id: CHEBI:13753
has alternative id: CHEBI:13805
has alternative id: CHEBI:13806
id: CHEBI:17478
has alternative id: CHEBI:22291
has alternative id: CHEBI:2554
has alternative id: CHEBI:8750
formula: CHOR
has db xref: KEGG:C00071
has related synonym: RC(=O)H
has related synonym: RCHO
smiles: [H]C([*])=O
has related synonym: aldehido
has related synonym: aldehidos
has exact synonym: aldehyde
has related synonym: aldehydes
has exact synonym: aldehydes
has related synonym: aldehydum
has related synonym: an aldehyde
has OBO namespace: chebi_ontology
in subset: 3 STAR

homocystine
type: Class
subclass of: homocystines
charge: 0
monoisotopicmass: 268.055
mass: 268.356
has related synonym: 4,4'-Dithiobis(2-aminobutyric acid)
has exact synonym: 4,4'-disulfanediylbis(2-aminobutanoic acid)
has related synonym: 4,4'-dithiobis(2-aminobutyric acid)
IAO_0000115: An organic disulfide obtained by oxidative dimerisation of homocysteine.
smiles: C(C(CCSSCCC(C(=O)O)N)N)(O)=O
formula: C8H16N2O4S2
has db xref: CAS:462-10-2
has alternative id: CHEBI:14409
id: CHEBI:17485
has alternative id: CHEBI:24611
has alternative id: CHEBI:5752
has db xref: HMDB:HMDB0000575
has exact synonym: Homocystine
inchi: InChI=1S/C8H16N2O4S2/c9-5(7(11)12)1-3-15-16-4-2-6(10)8(13)14/h5-6H,1-4,9-10H2,(H,11,12)(H,13,14)
has db xref: KEGG:C01817
has db xref: PMID:11592966
has db xref: PMID:11896744
has db xref: Reaxys:1728581
inchikey: ZTVZLYBCZNMWCF-UHFFFAOYSA-N
has OBO namespace: chebi_ontology
in subset: 3 STAR

3',5'-cyclic AMP
type: Class
subclass of: 3',5'-cyclic purine nucleotide
subclass of: adenyl ribonucleotide
charge: 0
has exact synonym: 3',5'-Cyclic AMP
monoisotopicmass: 329.053
mass: 329.20614
IAO_0000115: A 3',5'-cyclic purine nucleotide having having adenine as the nucleobase.
has related synonym: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE
has related synonym: Adenosine 3',5'-cyclic phosphate
has related synonym: Adenosine 3',5'-phosphate
has db xref: Beilstein:52645
formula: C10H12N5O6P
has db xref: CAS:60-92-4
has alternative id: CHEBI:11673
has alternative id: CHEBI:1325
id: CHEBI:17489
has alternative id: CHEBI:19827
has alternative id: CHEBI:41588
has related synonym: Cyclic AMP
has related synonym: Cyclic adenylic acid
has db xref: DrugBank:DB02527
has db xref: HMDB:HMDB0000058
inchikey: IVOMOUWHDPKRLL-KQYNXXCUSA-N
inchi: InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
has db xref: KEGG:C00575
has db xref: KNApSAcK:C00001497
has db xref: MetaCyc:CAMP
has db xref: PDBeChem:CMP
has db xref: PMID:16295522
has db xref: PMID:18372334
has db xref: PMID:22770225
has db xref: Reaxys:52645
has db xref: Wikipedia:Cyclic_AMP
has exact synonym: adenosine 3',5'-(hydrogen phosphate)
has related synonym: adenosine 3',5'-cyclic monophosphate
has related synonym: cAMP
has OBO namespace: chebi_ontology
in subset: 3 STAR

alditol
type: Class
subclass of: carbohydrate
subclass of: polyol
formula: (CH2O)nC2H6O2
charge: 0
IAO_0000115: A carbohydrate that is an acyclic polyol having the general formula HOCH2[CH(OH)]nCH2OH (formally derivable from an aldose by reduction of the carbonyl group).
has exact synonym: Alditol
has alternative id: CHEBI:13754
id: CHEBI:17522
has alternative id: CHEBI:22298
has alternative id: CHEBI:2556
has related synonym: Glycitol
has db xref: KEGG:C00717
has related synonym: Sugar alcohol
has db xref: Wikipedia:Glycerin
has exact synonym: alditol
has related synonym: alditols
has OBO namespace: chebi_ontology
in subset: 3 STAR

hydrogencarbonate
type: Class
subclass of: carbon oxoanion
charge: -1
monoisotopicmass: 60.993
mass: 61.01684
has related synonym: Acid carbonate
has related synonym: BICARBONATE ION
inchikey: BVKZGUZCCUSVTD-UHFFFAOYSA-M
has db xref: Beilstein:3903504
has related synonym: Bicarbonate
has db xref: CAS:71-52-3
has alternative id: CHEBI:13363
id: CHEBI:17544
has alternative id: CHEBI:22863
has alternative id: CHEBI:40961
has alternative id: CHEBI:5589
formula: CHO3
has db xref: Gmelin:49249
has related synonym: HCO3(-)
has related synonym: HCO3-
has db xref: HMDB:HMDB0000595
has exact synonym: Hydrogencarbonate
inchi: InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-1
has db xref: KEGG:C00288
has db xref: MetaCyc:HCO3
smiles: OC([O-])=O
has db xref: PDBeChem:BCT
has db xref: PMID:17215880
has db xref: PMID:17505962
has db xref: PMID:28732801
has db xref: PMID:29150416
has db xref: PMID:29460248
has db xref: PMID:29466234
has db xref: PMID:4208463
IAO_0000115: The carbon oxoanion resulting from the removal of a proton from carbonic acid.
has db xref: Wikipedia:Bicarbonate
has related synonym: [CO2(OH)](-)
has OBO namespace: chebi_ontology
has related synonym: hydrogen carbonate
has exact synonym: hydrogen(trioxidocarbonate)(1-)
has exact synonym: hydrogencarbonate
has exact synonym: hydrogencarbonate(1-)
has exact synonym: hydrogentrioxocarbonate(1-)
has exact synonym: hydrogentrioxocarbonate(IV)
has exact synonym: hydroxidodioxidocarbonate(1-)
in subset: 3 STAR

5-aminolevulinic acid
type: Class
subclass of: delta-amino acid
subclass of: 4-oxo monocarboxylic acid
charge: 0
monoisotopicmass: 131.058
mass: 131.12990
has related synonym: 5-ALA
has related synonym: 5-Amino-4-oxopentanoate
has related synonym: 5-Amino-4-oxovaleric acid
has related synonym: 5-Aminolevulinate
has exact synonym: 5-amino-4-oxopentanoic acid
has db xref: Beilstein:1759139
formula: C5H9NO3
has db xref: CAS:106-60-5
id: CHEBI:17549
has alternative id: CHEBI:2034
has alternative id: CHEBI:20547
has db xref: DrugBank:DB00855
has db xref: Drug_Central:166
has db xref: HMDB:HMDB0001149
inchi: InChI=1S/C5H9NO3/c6-3-4(7)1-2-5(8)9/h1-3,6H2,(H,8,9)
has db xref: KEGG:C00430
has db xref: KEGG:D07567
has db xref: KNApSAcK:C00007378
has db xref: LINCS:LSM-5677
smiles: NCC(=O)CCC(O)=O
has db xref: PMID:11303952
has db xref: PMID:15756058
has db xref: PMID:15996585
has db xref: PMID:18982627
has db xref: PMID:19378778
has db xref: PMID:22378066
has db xref: PMID:22700502
has db xref: PMID:23242333
has db xref: PMID:23291627
has db xref: PMID:23299429
has db xref: PMID:23307195
has db xref: PMID:23339045
has db xref: PMID:23360321
has db xref: PMID:7890117
has db xref: Reaxys:1759139
IAO_0000115: The simplest delta-amino acid in which the hydrogens at the gamma position are replaced by an oxo group. It is metabolised to protoporphyrin IX, a photoactive compound which accumulates in the skin. Used (in the form of the hydrochloride salt)in combination with blue light illumination for the treatment of minimally to moderately thick actinic keratosis of the face or scalp.
has db xref: Wikipedia:Aminolevulinic_acid
inchikey: ZGXJTSGNIOSYLO-UHFFFAOYSA-N
has related synonym: aminolevulinic acid
has OBO namespace: chebi_ontology
has related synonym: dALA
has related synonym: delta-ALA
has related synonym: delta-aminolevulinic acid
in subset: 3 STAR

O-phosphoethanolamine
type: Class
subclass of: phosphoethanolamine
subclass of: primary amino compound
charge: 0
monoisotopicmass: 141.019
mass: 141.06302
has related synonym: 2-amino-ethanol dihydrogen phosphate
has related synonym: 2-amino-ethanol phosphate
has exact synonym: 2-aminoethyl dihydrogen phosphate
has db xref: Beilstein:1758916
formula: C2H8NO4P
has db xref: CAS:1071-23-4
has alternative id: CHEBI:12694
has alternative id: CHEBI:14224
has alternative id: CHEBI:14814
id: CHEBI:17553
has alternative id: CHEBI:23980
has alternative id: CHEBI:44681
has alternative id: CHEBI:4881
has db xref: DrugBank:DB01738
has related synonym: EAP
has related synonym: Ethanolamine phosphate
has db xref: Gmelin:663022
inchi: InChI=1S/C2H8NO4P/c3-1-2-7-8(4,5)6/h1-3H2,(H2,4,5,6)
has db xref: KEGG:C00346
has db xref: MetaCyc:PHOSPHORYL-ETHANOLAMINE
smiles: NCCOP(O)(O)=O
has exact synonym: O-Phosphoethanolamine
has related synonym: O-Phosphorylethanolamine
has related synonym: O-phosphocolamine
has related synonym: OPE
has db xref: PDBeChem:OPE
has related synonym: PE
has related synonym: PEA
has related synonym: PETN
has db xref: PMID:1112054
has db xref: PMID:7791524
has related synonym: Phosphoethanolamine
has db xref: Reaxys:1758916
inchikey: SUHOOTKUPISOBE-UHFFFAOYSA-N
IAO_0000115: The ethanolamine mono-ester of phosphoric acid, and a metabolite of phospholipid metabolism. This phosphomonoester shows strong structural similarity to the inhibitory neurotransmitter GABA, and is decreased in post-mortem Alzheimer's disease brain.
has OBO namespace: chebi_ontology
has related synonym: colamine phosphate
has related synonym: colamine phosphoric acid
has related synonym: colaminphosphoric acid
has related synonym: ethanolamine O-phosphate
has related synonym: ethanolamine acid phosphate
has related synonym: mono(2-aminoethyl) phosphate
has related synonym: monoaminoethyl phosphate
has related synonym: pEtN
has related synonym: phosphonoethanolamine
has related synonym: phosphoric acid 2-aminoethyl phenyl ester
has related synonym: phosphoryl-ethanolamine
in subset: 3 STAR

L-cysteine
type: Class
subclass of: cysteine
subclass of: L-alpha-amino acid
subclass of: serine family amino acid
subclass of: proteinogenic amino acid
has related synonym: (2R)-2-amino-3-mercaptopropanoic acid
has related synonym: (2R)-2-amino-3-sulfanylpropanoic acid
has related synonym: (R)-2-amino-3-mercaptopropanoic acid
charge: 0
monoisotopicmass: 121.020
mass: 121.15800
IAO_0000115: An optically active form of cysteine having L-configuration.
has db xref: Beilstein:1721408
has related synonym: C
formula: C3H7NO2S
has db xref: CAS:52-90-4
has alternative id: CHEBI:13095
id: CHEBI:17561
has alternative id: CHEBI:21261
has alternative id: CHEBI:41227
has alternative id: CHEBI:41700
has alternative id: CHEBI:41768
has alternative id: CHEBI:41781
has alternative id: CHEBI:41811
has alternative id: CHEBI:6207
has related synonym: CYSTEINE
has related synonym: Cys
has db xref: DrugBank:DB00151
has db xref: Drug_Central:769
has related synonym: E 920
has related synonym: E-920
has related synonym: E920
has db xref: ECMDB:ECMDB00574
has related synonym: FREE CYSTEINE
has db xref: Gmelin:49991
has db xref: HMDB:HMDB0000574
inchi: InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1
has db xref: KEGG:C00097
has db xref: KEGG:D00026
has db xref: KNApSAcK:C00001351
has related synonym: L-2-Amino-3-mercaptopropionic acid
has related synonym: L-Cystein
has exact synonym: L-Cysteine
has related synonym: L-Zystein
has exact synonym: L-cysteine
has db xref: MetaCyc:CYS
smiles: N[C@@H](CS)C(O)=O
has db xref: PDBeChem:CYS
has db xref: PMID:11732994
has db xref: PMID:13761469
has db xref: PMID:22735334
has db xref: Reaxys:1721408
has db xref: Wikipedia:Cysteine
inchikey: XUJNEKJLAYXESH-REOHCLBHSA-N
has db xref: YMDB:YMDB00046
has OBO namespace: chebi_ontology
in subset: 3 STAR

uracil
type: Class
subclass of: pyrimidine nucleobase
subclass of: pyrimidone
charge: 0
monoisotopicmass: 112.027
mass: 112.08684
has related synonym: 2,4(1H,3H)-pyrimidinedione
has related synonym: 2,4-Dioxopyrimidine
has related synonym: 2,4-Pyrimidinedione
IAO_0000115: A common and naturally occurring pyrimidine nucleobase in which the pyrimidine ring is substituted with two oxo groups at positions 2 and 4. Found in RNA, it base pairs with adenine and replaces thymine during DNA transcription.
has db xref: Beilstein:606623
formula: C4H4N2O2
has db xref: CAS:66-22-8
has alternative id: CHEBI:15288
id: CHEBI:17568
has alternative id: CHEBI:27210
has alternative id: CHEBI:46375
has alternative id: CHEBI:9882
has db xref: DrugBank:DB03419
has db xref: Gmelin:2896
has db xref: HMDB:HMDB0000300
inchikey: ISAKRJDGNUQOIC-UHFFFAOYSA-N
inchi: InChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)
has db xref: KEGG:C00106
has db xref: KEGG:D00027
has db xref: KNApSAcK:C00001513
has db xref: MetaCyc:URACIL
smiles: O=c1cc[nH]c(=O)[nH]1
has db xref: PDBeChem:URA
has db xref: PMID:11279060
has db xref: PMID:12855717
has db xref: PMID:15274295
has db xref: PMID:16834123
has db xref: PMID:17439666
has db xref: PMID:18533995
has db xref: PMID:18815805
has db xref: PMID:19175333
has db xref: PMID:22020693
has db xref: PMID:22074393
has db xref: PMID:22120518
has db xref: PMID:22171528
has db xref: PMID:22237209
has db xref: PMID:22299724
has db xref: PMID:22356544
has db xref: PMID:22447672
has db xref: PMID:22483865
has db xref: PMID:22567906
has db xref: PMID:22685418
has db xref: PMID:3654008
has db xref: Reaxys:606623
has related synonym: U
has exact synonym: URACIL
has related synonym: Ura
has exact synonym: Uracil
has related synonym: Urazil
has db xref: Wikipedia:Uracil
has OBO namespace: chebi_ontology
has exact synonym: pyrimidine-2,4(1H,3H)-dione
has exact synonym: uracil
in subset: 3 STAR

toluene
type: Class
subclass of: volatile organic compound
subclass of: toluenes
subclass of: methylbenzene
charge: 0
monoisotopicmass: 92.063
mass: 92.13842
has db xref: Beilstein:635760
formula: C7H8
has db xref: CAS:108-88-3
has alternative id: CHEBI:15248
id: CHEBI:17578
has alternative id: CHEBI:27022
has alternative id: CHEBI:44023
has alternative id: CHEBI:9624
smiles: Cc1ccccc1
has db xref: DrugBank:DB01900
has db xref: Gmelin:2456
inchi: InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3
has db xref: KEGG:C01455
has db xref: PDBeChem:MBN
has db xref: PMID:11182169
has db xref: PMID:11314682
has db xref: PMID:11846266
has db xref: PMID:11991009
has db xref: PMID:12062755
has db xref: PMID:12213539
has db xref: PMID:12237258
has db xref: PMID:12784113
has db xref: PMID:12876426
has db xref: PMID:14512097
has db xref: PMID:14559343
has db xref: PMID:14605898
has db xref: PMID:15015825
has db xref: PMID:15019953
has db xref: PMID:15119846
has db xref: PMID:15193425
has db xref: PMID:15542760
has db xref: PMID:15567510
has db xref: PMID:15695158
has db xref: PMID:15796064
has db xref: PMID:16316648
has db xref: PMID:16348226
has db xref: PMID:16601996
has db xref: PMID:17145141
has db xref: PMID:17175136
has db xref: PMID:17497535
has db xref: PMID:17725881
has db xref: PMID:18397809
has db xref: PMID:18832024
has db xref: PMID:19261054
has db xref: PMID:19384711
has db xref: PMID:19429395
has db xref: PMID:19635754
has db xref: PMID:19765629
has db xref: PMID:19825861
has db xref: PMID:19928203
has db xref: PMID:19969016
has db xref: PMID:20347282
has db xref: PMID:20837561
has db xref: PMID:21430649
has db xref: PMID:21655021
has db xref: PMID:21731073
has db xref: PMID:21802510
has db xref: PMID:21840036
has db xref: Reaxys:635760
has exact synonym: TOLUENE
IAO_0000115: The simplest member of the class toluenes consisting of a benzene core which bears a single methyl substituent.
has related synonym: Toluen
has exact synonym: Toluene
has related synonym: Toluol
has db xref: UM-BBD_compID:c0114
has db xref: Wikipedia:Toluene
inchikey: YXFVVABEGXRONW-UHFFFAOYSA-N
has OBO namespace: chebi_ontology
has related synonym: methylbenzene
has related synonym: phenylmethane
has exact synonym: toluene
in subset: 3 STAR

beta-carotene
type: Class
subclass of: carotenoid beta-end group
subclass of: cyclic carotene
charge: 0
has related synonym: 1,1'-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaene-1,18-diyl]bis(2,6,6-trimethylcyclohexene)
monoisotopicmass: 536.438
mass: 536.87264
IAO_0000115: A cyclic carotene obtained by dimerisation of all-trans-retinol. A strongly-coloured red-orange pigment abundant in plants and fruit and the most active and important provitamin A carotenoid.
has exact synonym: BETA-CAROTENE
has db xref: Beilstein:1917416
formula: C40H56
has db xref: CAS:7235-40-7
smiles: CC(\C=C\C=C(C)\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C
has alternative id: CHEBI:10355
has alternative id: CHEBI:12392
id: CHEBI:17579
has alternative id: CHEBI:22834
has alternative id: CHEBI:40987
has db xref: COMe:MOL000093
has db xref: Drug_Central:345
has db xref: HMDB:HMDB0000561
has db xref: KEGG:C02094
has db xref: KEGG:D03101
has db xref: KNApSAcK:C00000919
has db xref: LIPID_MAPS_instance:LMPR01070000
has db xref: LIPID_MAPS_instance:LMPR01070001
has db xref: MetaCyc:CPD1F-129
inchikey: OENHQHLEOONYIE-JLTXGRSLSA-N
has db xref: PDBeChem:BCR
has db xref: PMID:11171227
has db xref: PMID:11182771
has db xref: PMID:11332447
has db xref: PMID:11359610
has db xref: PMID:11382814
has db xref: PMID:11567548
has db xref: PMID:11677037
has db xref: PMID:11714348
has db xref: PMID:11962062
has db xref: PMID:12081834
has db xref: PMID:12891827
has db xref: PMID:14658721
has db xref: PMID:14764912
has db xref: PMID:14976384
has db xref: PMID:14997360
has db xref: PMID:15113067
has db xref: PMID:15333155
has db xref: PMID:15695449
has db xref: PMID:15789045
has db xref: PMID:15909543
has db xref: PMID:15949680
has db xref: PMID:15949683
has db xref: PMID:16036331
has db xref: PMID:16087476
has db xref: PMID:16338959
has db xref: PMID:16563447
has db xref: PMID:17004738
has db xref: PMID:17625873
has db xref: PMID:17708644
has db xref: PMID:17851775
has db xref: PMID:18429004
has db xref: PMID:18766464
has db xref: PMID:18767554
has db xref: PMID:18794175
has db xref: PMID:19480350
has db xref: PMID:19574250
has db xref: PMID:19669835
has db xref: PMID:19703237
has db xref: PMID:19852884
has db xref: PMID:19888275
has db xref: PMID:19896667
has db xref: PMID:19937581
has db xref: PMID:20074992
has db xref: PMID:20515074
has db xref: PMID:22079732
has db xref: PMID:22309480
has db xref: PMID:22428124
has db xref: PMID:22489215
has db xref: PMID:22534340
has db xref: PMID:22575730

octane
type: Class
subclass of: alkane
charge: 0
monoisotopicmass: 114.141
mass: 114.22852
IAO_0000115: A straight chain alkane composed of 8 carbon atoms.
has db xref: Beilstein:1696875
formula: C8H18
has db xref: CAS:111-65-9
smiles: CCCCCCCC
has related synonym: CH3-[CH2]6-CH3
has alternative id: CHEBI:14680
id: CHEBI:17590
has alternative id: CHEBI:25465
has alternative id: CHEBI:25645
has alternative id: CHEBI:44621
has alternative id: CHEBI:7723
has db xref: DrugBank:DB02440
has db xref: Gmelin:82412
has db xref: HMDB:HMDB0001485
inchi: InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3
has db xref: KEGG:C01387
has db xref: LIPID_MAPS_instance:LMFA11000002
has db xref: MetaCyc:CPD-148
has related synonym: N-OCTANE
has exact synonym: Octane
has related synonym: Oktan
has db xref: PDBeChem:OCT
has db xref: PMID:11255151
has db xref: PMID:24354334
has db xref: Reaxys:1696875
inchikey: TVMXDCGIABBOFY-UHFFFAOYSA-N
has db xref: UM-BBD_compID:c0044
has db xref: Wikipedia:Octane
has OBO namespace: chebi_ontology
has related synonym: n-Octane
has related synonym: n-Oktan
has exact synonym: octane
in subset: 3 STAR

D-aldohexose
type: Class
subclass of: aldohexose
subclass of: D-hexose
IAO_0000115: Any D-aldose having a chain of six carbon atoms in the molecule.
formula: C6H12O6
has alternative id: CHEBI:12990
id: CHEBI:17608
has alternative id: CHEBI:21038
has exact synonym: D-aldohexose
has related synonym: D-aldohexoses
has OBO namespace: chebi_ontology
in subset: 3 STAR

(3,4-dihydroxyphenyl)acetate
type: Class
subclass of: hydroxy monocarboxylic acid anion
has exact synonym: (3,4-dihydroxyphenyl)acetate
charge: -1
monoisotopicmass: 167.034
mass: 167.13878
has related synonym: 3,4-dihydroxyphenylacetate
IAO_0000115: A dihydroxy monocarboxylic acid anion that is the conjugate base of (3,4-dihydroxyphenyl)acetic acid, arising from deprotonation of the carboxy group.
formula: C8H7O4
inchikey: CFFZDZCDUFSOFZ-UHFFFAOYSA-M
has alternative id: CHEBI:11696
has alternative id: CHEBI:11697
id: CHEBI:17612
has alternative id: CHEBI:19889
inchi: InChI=1S/C8H8O4/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3,9-10H,4H2,(H,11,12)/p-1
has db xref: KEGG:C01161
smiles: Oc1ccc(CC([O-])=O)cc1O
has db xref: UM-BBD_compID:c0272
has OBO namespace: chebi_ontology
has related synonym: homoprotocatechuate
in subset: 3 STAR

sphingomyelin d18:1
type: Class
subclass of: sphingomyelin
charge: 0
monoisotopicmass: 491.325
mass: 491.622
IAO_0000115: Any sphingomyelin having sphingosine as the sphingoid component.
formula: C24H48N2O6PR
has alternative id: CHEBI:15101
id: CHEBI:17636
has alternative id: CHEBI:26740
has alternative id: CHEBI:9223
has db xref: KEGG:C00550
has db xref: LIPID_MAPS_instance:LMSP03010000
has related synonym: N-acyl-4-sphingenyl-1-O-phosphorylcholines
smiles: O=P(OCC[N+](C)(C)C)(OC[C@H](NC(*)=O)[C@@H](/C=C/CCCCCCCCCCCCC)O)[O-]
has db xref: PMID:3196084
has related synonym: Sphingomyelin
has related synonym: ceramide phosphocholine
has OBO namespace: chebi_ontology
has related synonym: sphingomyelin
has related synonym: sphingomyelins
in subset: 3 STAR

cortisol
type: Class
subclass of: 17alpha-hydroxy-C21-steroid
subclass of: primary alpha-hydroxy ketone
subclass of: tertiary alpha-hydroxy ketone
subclass of: glucocorticoid
subclass of: 21-hydroxy steroid
subclass of: 11beta-hydroxy steroid
subclass of: 20-oxo steroid
subclass of: 3-oxo-Delta(4) steroid
has related synonym: (11beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione
charge: 0
has exact synonym: 11beta,17,21-trihydroxypregn-4-ene-3,20-dione
has related synonym: 11beta,17alpha,21-Trihydroxy-4-pregnene-3,20-dione
has related synonym: 11beta,17alpha,21-trihydroxy-4-pregnene-3,20-dione
has related synonym: 11beta-hydrocortisone
has related synonym: 17-hydroxycorticosterone
monoisotopicmass: 362.209
mass: 362.45990
has related synonym: 4-pregnen-11beta,17alpha,21-triol-3,20-dione
IAO_0000115: A 17alpha-hydroxy-C21-steroid that is pregn-4-ene substituted by oxo groups at positions 3 and 20 and hydroxy groups at positions 11, 17 and 21. Cortisol is a corticosteroid hormone or glucocorticoid produced by zona fasciculata of the adrenal cortex, which is a part of the adrenal gland. It is usually referred to as the "stress hormone" as it is involved in response to stress and anxiety, controlled by corticotropin-releasing hormone (CRH). It increases blood pressure and blood sugar, and reduces immune responses
has db xref: Beilstein:1354819
formula: C21H30O5
has db xref: CAS:50-23-7
has alternative id: CHEBI:14023
id: CHEBI:17650
has alternative id: CHEBI:24633
has alternative id: CHEBI:3893
has alternative id: CHEBI:58221
has exact synonym: Cortisol
has db xref: DrugBank:DB00741
has db xref: Drug_Central:1388
has related synonym: Hydrocortisone
inchi: InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1
inchikey: JYGXADMDTFJGBT-VWUMJDOOSA-N
has db xref: KEGG:C00735
has db xref: KEGG:D00088
has related synonym: Kendall's compound F
has db xref: LINCS:LSM-5980
has db xref: LIPID_MAPS_instance:LMST02030001
has db xref: PDBeChem:HCY
has db xref: PMID:10438974
has db xref: PMID:2268561
has db xref: Patent:US2602769
has related synonym: Reichstein's substance M
has db xref: Wikipedia:Hydrocortisone
has OBO namespace: chebi_ontology
has exact synonym: cortisol
has related synonym: hidrocortisona
has related synonym: hydrocortisone
has related synonym: hydrocortisonum
in subset: 3 STAR

ribonucleoside diphosphate
type: Class
subclass of: nucleoside diphosphate
charge: 0
monoisotopicmass: 292.983
mass: 293.083
formula: C5H11O10P2R
has alternative id: CHEBI:15046
id: CHEBI:17668
has alternative id: CHEBI:26557
has alternative id: CHEBI:8845
has db xref: KEGG:C03723
has exact synonym: Ribonucleoside diphosphate
has OBO namespace: chebi_ontology
has exact synonym: ribonucleoside diphosphate
has related synonym: ribonucleoside diphosphates
in subset: 3 STAR

(S)-nicotine
type: Class
subclass of: 3-(1-methylpyrrolidin-2-yl)pyridine
has related synonym: (-)-3-(1-Methyl-2-pyrrolidyl)pyridine
has related synonym: (-)-3-(N-Methylpyrrolidino)pyridine
has related synonym: (-)-nicotine
has related synonym: (R)-3-(1-Methyl-2-pyrrolidinyl)pyridine
has related synonym: (S)-(-)-nicotine
has related synonym: (S)-3-(1-methylpyrrolidin-2-yl)pyridine
has related synonym: (S)-3-(N-methylpyrrolidin-2-yl)pyridine
has exact synonym: (S)-Nicotine
has exact synonym: (S)-nicotine
charge: 0
has related synonym: 1-Methyl-2-(3-pyridyl)pyrrolidine
monoisotopicmass: 162.116
mass: 162.232
has related synonym: 3-(1-Methyl-2-pyrollidinyl)pyridine
has related synonym: 3-(1-Methylpyrrolidin-2-yl)pyridine
has related synonym: 3-(2-(N-methylpyrrolidinyl))pyridine
has related synonym: 3-(N-methylpyrollidino)pyridine
has exact synonym: 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
IAO_0000115: A 3-(1-methylpyrrolidin-2-yl)pyridine in which the chiral centre has S-configuration. The naturally occurring and most active enantiomer of nicotine, isolated from Nicotiana tabacum.
has db xref: BPDB:485
has db xref: Beilstein:3604351
has db xref: Beilstein:82109
formula: C10H14N2
smiles: C=1C=C([C@]2(N(CCC2)C)[H])C=NC1
has db xref: CAS:54-11-5
has alternative id: CHEBI:14653
id: CHEBI:17688
has alternative id: CHEBI:25536
has alternative id: CHEBI:44268
has alternative id: CHEBI:7562
has db xref: DrugBank:DB00184
has db xref: Drug_Central:1920
has db xref: HMDB:HMDB0001934
inchi: InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
has db xref: KEGG:C00745
has db xref: KEGG:D03365
has db xref: KNApSAcK:C00002057
has related synonym: L(-)-nicotine
has related synonym: L-3-(1-Methyl-2-pyrrolidyl)pyridine
has related synonym: L-Nicotine
has db xref: LINCS:LSM-2093
has db xref: MetaCyc:NICOTINE
has related synonym: Nicotine
has db xref: PDBeChem:NCT
has db xref: PMID:11209966
has db xref: PMID:11322615
has db xref: PMID:11406005
has db xref: PMID:11719700
has db xref: PMID:11768184
has db xref: PMID:11821649
has db xref: PMID:11851194
has db xref: PMID:12575980
has db xref: PMID:12692774
has db xref: PMID:12769614
has db xref: PMID:12850578
has db xref: PMID:12971663
has db xref: PMID:13590907
has db xref: PMID:14674846
has db xref: PMID:14761239
has db xref: PMID:14975706
has db xref: PMID:15019421
has db xref: PMID:15027713
has db xref: PMID:15251917
has db xref: PMID:15276225
has db xref: PMID:15380834
has db xref: PMID:15502843
has db xref: PMID:15527885
has db xref: PMID:15707677
has db xref: PMID:15734728
has db xref: PMID:15826609
has db xref: PMID:15894687
has db xref: PMID:15902919
has db xref: PMID:15960296
has db xref: PMID:15963341
has db xref: PMID:16059663
has db xref: PMID:16212709
has db xref: PMID:16333621

sphingosine-1-phosphocholine
type: Class
subclass of: ammonium betaine
subclass of: phosphosphingolipid
subclass of: phosphocholines
has exact synonym: (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl 2-(trimethylammonio)ethyl phosphate
charge: 0
monoisotopicmass: 464.338
mass: 464.61930
IAO_0000115: A phosphosphingolipid consisting of sphingosine having a phosphocholine moiety attached to its primary hydroxyl group.
has db xref: Beilstein:7342520
formula: C23H49N2O5P
has alternative id: CHEBI:15103
id: CHEBI:17689
has alternative id: CHEBI:26744
has alternative id: CHEBI:9226
inchi: InChI=1S/C23H49N2O5P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26)22(24)21-30-31(27,28)29-20-19-25(2,3)4/h17-18,22-23,26H,5-16,19-21,24H2,1-4H3/b18-17+/t22-,23+/m0/s1
inchikey: JLVSPVFPBBFMBE-HXSWCURESA-N
has db xref: LIPID_MAPS_instance:LMSP01060001
has db xref: PMID:14741383
has OBO namespace: chebi_ontology
has related synonym: sphing-4-enine-1-phosphocholine
has related synonym: sphingosylphosphocholine betaine
has related synonym: sphingosylphosphorylcholine
in subset: 3 STAR

glycerol
type: Class
subclass of: alditol
subclass of: triol
charge: 0
has related synonym: 1,2,3-Propanetriol
has related synonym: 1,2,3-Trihydroxypropane
monoisotopicmass: 92.047
mass: 92.09382
IAO_0000115: A triol with a structure of propane substituted at positions 1, 2 and 3 by hydroxy groups.
has db xref: Beilstein:635685
formula: C3H8O3
has db xref: CAS:56-81-5
has alternative id: CHEBI:131422
has alternative id: CHEBI:14334
id: CHEBI:17754
has alternative id: CHEBI:24351
has alternative id: CHEBI:42998
has alternative id: CHEBI:5448
has db xref: DrugBank:DB04077
has db xref: Drug_Central:1316
has db xref: ECMDB:ECMDB00131
has exact synonym: GLYCEROL
has related synonym: Glycerin
has related synonym: Glyceritol
has exact synonym: Glycerol
has related synonym: Glyzerin
has db xref: Gmelin:26279
has related synonym: Gro
has db xref: HMDB:HMDB0000131
inchi: InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2
has db xref: KEGG:C00116
has db xref: KEGG:D00028
has db xref: KNApSAcK:C00001163
has db xref: LINCS:LSM-37180
has db xref: MetaCyc:GLYCEROL
smiles: OCC(O)CO
has related synonym: Oelsuess
has db xref: PDB:2AJS
has db xref: PDB:2D03
has db xref: PDBeChem:GOL
inchikey: PEDCQBHIVMGVHV-UHFFFAOYSA-N
has db xref: PMID:11958517
has db xref: PMID:12672239
has db xref: PMID:12689633
has db xref: PMID:14559393
has db xref: PMID:14563847
has db xref: PMID:15342117
has db xref: PMID:15786693
has db xref: PMID:16244855
has db xref: PMID:16258193
has db xref: PMID:16319039
has db xref: PMID:16349488
has db xref: PMID:16651733
has db xref: PMID:16664750
has db xref: PMID:16901854
has db xref: PMID:17336832
has db xref: PMID:17439666
has db xref: PMID:17979222
has db xref: PMID:19184438
has db xref: PMID:19231894
has db xref: PMID:19460032
has db xref: PMID:19548674
has db xref: PMID:19795216
has db xref: PMID:19956799
has db xref: PMID:22705534
has db xref: PMID:23562176
has db xref: PMID:23747440
has db xref: PMID:24643482
has db xref: PMID:25108762
has db xref: PMID:7031247
has db xref: PMID:7392035
has db xref: PPDB:1317
has related synonym: Propanetriol
has db xref: Reaxys:635685
has related synonym: Trihydroxypropane
has db xref: UM-BBD_compID:c0066
has db xref: Wikipedia:Glycerol
has db xref: YMDB:YMDB00283
has OBO namespace: chebi_ontology

cystathionine
type: Class
subclass of: organic sulfide
subclass of: cystathionines
charge: 0
has exact synonym: 2-amino-4-[(2-amino-2-carboxyethyl)sulfanyl]butanoic acid
monoisotopicmass: 222.067
mass: 222.26314
IAO_0000115: A modified amino acid generated by enzymic means from homocysteine and serine.
formula: C7H14N2O4S
has db xref: CAS:535-34-2
has alternative id: CHEBI:14059
id: CHEBI:17755
has alternative id: CHEBI:4048
has exact synonym: Cystathionine
has related synonym: DL-Cystathionine
inchikey: ILRYLPWNYFXEMH-UHFFFAOYSA-N
inchi: InChI=1S/C7H14N2O4S/c8-4(6(10)11)1-2-14-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)
has db xref: KEGG:C00542
smiles: NC(CCSCC(N)C(O)=O)C(O)=O
has db xref: PMID:12907234
has db xref: PMID:15033753
has db xref: PMID:22212096
has db xref: PMID:22264337
has db xref: Reaxys:2416815
has exact synonym: S-(2-amino-2-carboxyethyl)homocysteine
has OBO namespace: chebi_ontology
has related synonym: cystathione
has exact synonym: cystathionine
in subset: 3 STAR

cholesta-5,7-dien-3beta-ol
type: Class
subclass of: Delta(5),Delta(7)-sterol
subclass of: 3beta-sterol
subclass of: cholestanoid
has related synonym: (3beta)-cholesta-5,7-dien-3-ol
charge: 0
monoisotopicmass: 384.339
mass: 384.63766
has related synonym: 5,7-cholestadien-3-beta-ol
has related synonym: 5,7-cholestadien-3beta-ol
has related synonym: 7-Dehydrocholesterol
has db xref: Beilstein:2224615
formula: C27H44O
has db xref: CAS:434-16-2
has alternative id: CHEBI:13981
id: CHEBI:17759
has alternative id: CHEBI:23181
has alternative id: CHEBI:3658
has exact synonym: Cholesta-5,7-dien-3beta-ol
has db xref: Gmelin:893079
inchi: InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,18-19,21,23-25,28H,6-8,11-17H2,1-5H3/t19-,21+,23-,24+,25+,26+,27-/m1/s1
has db xref: KEGG:C01164
has db xref: KNApSAcK:C00023747
has db xref: LIPID_MAPS_instance:LMST01010069
has related synonym: Provitamin D3
inchikey: UCTLRSWJYQTBFZ-DDPQNLDTSA-N
has OBO namespace: chebi_ontology
has exact synonym: cholesta-5,7-dien-3beta-ol
in subset: 3 STAR

ceramide
type: Class
subclass of: sphingolipid
subclass of: carboxamide
charge: 0
monoisotopicmass: 100.040
mass: 100.09590
formula: C4H6NO2R3
has alternative id: CHEBI:12487
has alternative id: CHEBI:13954
id: CHEBI:17761
has alternative id: CHEBI:23074
has alternative id: CHEBI:7242
has related synonym: Cer
has exact synonym: Ceramide
IAO_0000115: Ceramides (N-acyl-sphingoid bases) are a major subclass of sphingoid base derivatives with an amide-linked fatty acid. The fatty acids are typically saturated or monounsaturated with chain lengths from 14 to 26 carbon atoms; the presence of a hydroxyl group on carbon 2 is fairly common. Ceramides are generally precursors of more complex sphingolipids. In the illustrated generalised structure, R(1) = OH, OX (where X = acyl, glycosyl, phosphate, phosphonate, etc.), or H.
has db xref: KEGG:C00195
has db xref: LIPID_MAPS_class:LMSP02
has related synonym: N-acylated sphingoid
smiles: O[C@H]([*])[C@H](C[*])NC([*])=O
has db xref: PMID:7542630
has db xref: Wikipedia:Ceramide
has related synonym: a ceramide
has related synonym: ceramides
has OBO namespace: chebi_ontology
in subset: 3 STAR

methanol
type: Class
subclass of: volatile organic compound
subclass of: primary alcohol
subclass of: alkyl alcohol
subclass of: one-carbon compound
charge: 0
monoisotopicmass: 32.026
mass: 32.04186
has db xref: Beilstein:1098229
has db xref: CAS:67-56-1
has related synonym: CH3OH
formula: CH4O
has alternative id: CHEBI:14588
id: CHEBI:17790
has alternative id: CHEBI:25227
has alternative id: CHEBI:44080
has alternative id: CHEBI:44553
has alternative id: CHEBI:6816
smiles: CO
has db xref: Gmelin:449
has db xref: HMDB:HMDB0001875
inchi: InChI=1S/CH4O/c1-2/h2H,1H3
has db xref: KEGG:C00132
has db xref: KEGG:D02309
has exact synonym: METHANOL
has related synonym: MeOH
has db xref: MetaCyc:METOH
has exact synonym: Methanol
has related synonym: Methyl alcohol
has related synonym: Methylalkohol
inchikey: OKKJLVBELUTLKV-UHFFFAOYSA-N
has db xref: PDBeChem:MOH
has db xref: PMID:11141607
has db xref: PMID:11430978
has db xref: PMID:11489599
has db xref: PMID:11680737
has db xref: PMID:11684179
has db xref: PMID:14012711
has db xref: PMID:14678513
has db xref: PMID:14760634
has db xref: PMID:15172721
has db xref: PMID:15906011
has db xref: PMID:16705261
has db xref: PMID:17451998
has db xref: PMID:17733096
has db xref: PMID:19064074
has db xref: PMID:19850112
has db xref: PMID:20314698
has db xref: Reaxys:1098229
IAO_0000115: The primary alcohol that is the simplest aliphatic alcohol, comprising a methyl and an alcohol group.
has db xref: UM-BBD_compID:c0132
has db xref: Wikipedia:Methanol
has related synonym: carbinol
has OBO namespace: chebi_ontology
has exact synonym: methanol
has related synonym: spirit of wood
has related synonym: wood alcohol
has related synonym: wood naphtha
has related synonym: wood spirit
in subset: 3 STAR

serine
type: Class
subclass of: alpha-amino acid
subclass of: Restriction
  on property: has part
  some values from: hydroxymethyl group
charge: 0
monoisotopicmass: 105.043
mass: 105.09262
has related synonym: 2-Amino-3-hydroxypropionic acid
has related synonym: 2-amino-3-hydroxypropanoic acid
has related synonym: 3-Hydroxyalanine
IAO_0000115: An alpha-amino acid that is alanine substituted at position 3 by a hydroxy group.
has db xref: Beilstein:1721402
formula: C3H7NO3
has db xref: CAS:302-84-1
has alternative id: CHEBI:15081
id: CHEBI:17822
has alternative id: CHEBI:26648
has alternative id: CHEBI:9116
has db xref: Gmelin:26429
inchi: InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)
has db xref: KEGG:C00716
has db xref: KNApSAcK:C00001393
inchikey: MTCFGRXMJLQNBG-UHFFFAOYSA-N
smiles: NC(CO)C(O)=O
has db xref: Reaxys:1721402
has related synonym: Serin
has exact synonym: Serine
has db xref: Wikipedia:Serine
has OBO namespace: chebi_ontology
has exact synonym: serine
in subset: 3 STAR

calcitriol
type: Class
subclass of: triol
subclass of: hydroxycalciol
subclass of: D3 vitamins
has exact synonym: (1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol
has related synonym: (1S,3R,5Z,7E)-9,10-secocholesta-5,7,10-triene-1,3,25-triol
has related synonym: (1alpha,3beta,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol
has related synonym: (5Z,7E)-(1S,3R)-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol
charge: 0
has related synonym: 1,25-DHCC
has related synonym: 1-alpha-25-Dihydroxyvitamin D3
has related synonym: 1alpha,25(OH)2D3
has related synonym: 1alpha,25-dihydroxycholecalciferol
has related synonym: 1alpha,25-dihydroxyvitamin D3
monoisotopicmass: 416.329
mass: 416.63646
has related synonym: 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL
IAO_0000115: A hydroxycalciol that is calcidiol in which the pro-S hydrogen of calcidiol is replaced by a hydroxy group. It is the active form of vitamin D3, produced fom calciol via hydoxylation in the liver to form calcidiol, which is subsequently oxidised in the kidney to give calcitriol.
has db xref: Beilstein:2227647
formula: C27H44O3
has db xref: CAS:32222-06-3
has alternative id: CHEBI:13932
id: CHEBI:17823
has alternative id: CHEBI:19209
has alternative id: CHEBI:3307
has alternative id: CHEBI:46435
has related synonym: Calcijex
has exact synonym: Calcitriol
has related synonym: Decostriol
has db xref: DrugBank:DB00136
has db xref: Drug_Central:466
inchikey: GMRQFYUYWCNGIN-NKMMMXOESA-N
inchi: InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1
has db xref: KEGG:C01673
has db xref: KEGG:D00129
has db xref: LIPID_MAPS_instance:LMST03020258
has db xref: MetaCyc:CALCITRIOL
has db xref: PDBeChem:VDX
has db xref: PMID:10217585
has db xref: PMID:15928596
has db xref: PMID:19429426
has db xref: PMID:20599255
has db xref: PMID:22905919
has db xref: PMID:23103122
has db xref: PMID:23144765
has db xref: PMID:6687801
has db xref: Reaxys:2227647
has related synonym: Rocaltrol
has db xref: Wikipedia:Calcitriol
has exact synonym: calcitriol
has related synonym: calcitriol
has related synonym: calcitriolum
has OBO namespace: chebi_ontology
in subset: 3 STAR

triglyceride
type: Class
subclass of: glyceride
charge: 0
monoisotopicmass: 173.009
mass: 173.10030
formula: C6H5O6R3
has alternative id: CHEBI:15255
id: CHEBI:17855
has alternative id: CHEBI:27085
has alternative id: CHEBI:9664
has db xref: KEGG:C00422
has db xref: LIPID_MAPS_class:LMGL0301
has related synonym: Triacylglycerol
has related synonym: Triglycerid
has exact synonym: Triglyceride
has related synonym: Triglyzerid
smiles: [*]C(=O)OCC(COC([*])=O)OC([*])=O
has related synonym: a triacylglycerol
has OBO namespace: chebi_ontology
has related synonym: triacylglycerols
has related synonym: triglycerides
has exact synonym: triglycerides
in subset: 3 STAR

glutaric acid
type: Class
subclass of: alpha,omega-dicarboxylic acid
charge: 0
has related synonym: 1,3-Propanedicarboxylic acid
has related synonym: 1,5-pentanedioic acid
monoisotopicmass: 132.042
mass: 132.11462
IAO_0000115: An alpha,omega-dicarboxylic acid that is a linear five-carbon dicarboxylic acid.
has db xref: Beilstein:1209725
formula: C5H8O4
has db xref: CAS:110-94-1
id: CHEBI:17859
has alternative id: CHEBI:24330
has alternative id: CHEBI:43097
has alternative id: CHEBI:5434
has db xref: DrugBank:DB03553
has exact synonym: GLUTARIC ACID
has exact synonym: Glutaric acid
has related synonym: Glutarsaeure
has db xref: Gmelin:26809
has db xref: HMDB:HMDB0000661
inchi: InChI=1S/C5H8O4/c6-4(7)2-1-3-5(8)9/h1-3H2,(H,6,7)(H,8,9)
inchikey: JFCQEDHGNNZCLN-UHFFFAOYSA-N
has db xref: KEGG:C00489
has db xref: KNApSAcK:C00001184
has db xref: LIPID_MAPS_instance:LMFA01170046
smiles: OC(=O)CCCC(O)=O
has db xref: PDBeChem:GUA
has db xref: PMID:24297153
has db xref: PMID:24587932
has db xref: PMID:24900967
has related synonym: Pentanedioic acid
has db xref: Reaxys:1209725
has db xref: Wikipedia:Glutaric_acid
has OBO namespace: chebi_ontology
has exact synonym: pentanedioic acid
in subset: 3 STAR

hydrogen chloride
type: Class
subclass of: gas molecular entity
subclass of: hydrogen halide
subclass of: chlorine molecular entity
subclass of: mononuclear parent hydride
charge: 0
monoisotopicmass: 35.977
mass: 36.46064
IAO_0000115: A mononuclear parent hydride consisting of covalently bonded hydrogen and chlorine atoms.
has db xref: CAS:7647-01-0
has alternative id: CHEBI:13364
id: CHEBI:17883
has alternative id: CHEBI:24635
has alternative id: CHEBI:5590
has related synonym: Chlorwasserstoff
formula: ClH
smiles: Cl[H]
has db xref: Drug_Central:4568
has db xref: Gmelin:322
has related synonym: HCl
formula: HCl
has db xref: HMDB:HMDB0002306
has related synonym: Hydrochloride
has exact synonym: Hydrogen chloride
has related synonym: Hydrogenchlorid
inchi: InChI=1S/ClH/h1H
has db xref: KEGG:C01327
has db xref: KEGG:D02057
has db xref: MetaCyc:HCL
has db xref: PMID:15823700
has db xref: PMID:17492841
has db xref: PMID:22804993
has db xref: Reaxys:1098214
inchikey: VEXZGXHMUGYJMC-UHFFFAOYSA-N
has related synonym: Wasserstoffchlorid
has db xref: Wikipedia:HCl
has db xref: Wikipedia:Hydrochloric_acid
has related synonym: [HCl]
has OBO namespace: chebi_ontology
has exact synonym: chlorane
has exact synonym: chloridohydrogen
has related synonym: chlorure d'hydrogene
has related synonym: cloruro de hidrogeno
has related synonym: hydrochloric acid
has exact synonym: hydrogen chloride
in subset: 3 STAR

donor
type: Class
subclass of: chemical role
IAO_0000115: A molecular entity that can transfer ("donate") an electron, a pair of electrons, an atom or a group to another molecular entity.
has alternative id: CHEBI:14202
id: CHEBI:17891
has alternative id: CHEBI:4697
has related synonym: Donator
has exact synonym: Donor
has db xref: KEGG:C01351
has OBO namespace: chebi_ontology
has related synonym: donneur
has exact synonym: donor
in subset: 3 STAR

(2R)-2-hydroxy monocarboxylic acid
type: Class
subclass of: 2-hydroxy monocarboxylic acid
has related synonym: (2R)-2-hydroxy monocarboxylic acids
has related synonym: (2R)-Hydroxy-carboxylate
has related synonym: (R)-2-Hydroxyacid
has related synonym: (R)-2-Hydroxycarboxylic acid
has related synonym: (R)-2-hydroxyacid
charge: 0
monoisotopicmass: 75.008
mass: 75.04340
IAO_0000115: A 2-hydroxy monocarboxylic acid having (2R)-configuration.
formula: C2H3O3R
has alternative id: CHEBI:10973
id: CHEBI:17893
has alternative id: CHEBI:18649
has alternative id: CHEBI:309
has db xref: KEGG:C02489
has db xref: KEGG:C15487
smiles: O[C@H]([*])C(O)=O
has OBO namespace: chebi_ontology
in subset: 3 STAR

all-trans-retinal
type: Class
subclass of: retinal
has exact synonym: (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenal
charge: 0
monoisotopicmass: 284.214
mass: 284.43572
IAO_0000115: A retinal in which all four exocyclic double bonds have E- (trans-) geometry.
formula: C20H28O
has db xref: CAS:116-31-4
has alternative id: CHEBI:12776
id: CHEBI:17898
has alternative id: CHEBI:22348
has alternative id: CHEBI:8814
has db xref: HMDB:HMDB0001358
inchi: InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13+
has db xref: KEGG:C00376
has db xref: LIPID_MAPS_instance:LMPR01090002
has db xref: MetaCyc:RETINAL
inchikey: NCYCYZXNIZJOKI-OVSJKPMPSA-N
has db xref: PDBeChem:RET
has db xref: PMID:12168520
has db xref: PMID:15500295
has db xref: PMID:15686550
has db xref: PMID:15724104
has db xref: PMID:16054134
has db xref: PMID:16128572
has db xref: PMID:17326003
has db xref: PMID:21447403
has db xref: PMID:21995425
has db xref: PMID:22162152
has db xref: PMID:22198730
has db xref: PMID:22220722
has db xref: PMID:22417174
has db xref: PMID:22428905
has db xref: PMID:22431612
has db xref: PMID:22515697
has db xref: PMID:22529810
has db xref: PMID:22559266
has db xref: PMID:22621924
has db xref: PMID:22841964
has db xref: PMID:22879987
has related synonym: Retinal
has related synonym: Retinene
has related synonym: Vitamin A aldehyde
has db xref: Wikipedia:Retinal
has exact synonym: all-trans-Retinal
has related synonym: all-trans-Retinene
has related synonym: all-trans-Vitamin A aldehyde
has exact synonym: all-trans-retinal
has related synonym: all-trans-retinaldehyde
has OBO namespace: chebi_ontology
has related synonym: retinaldehyde
in subset: 3 STAR

D-glucitol
type: Class
subclass of: glucitol
has related synonym: (-)-sorbitol
has related synonym: (2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol
charge: 0
monoisotopicmass: 182.079
mass: 182.17176
has db xref: Beilstein:1721899
has db xref: Beilstein:4656395
formula: C6H14O6
has db xref: CAS:50-70-4
has alternative id: CHEBI:12954
has alternative id: CHEBI:13020
id: CHEBI:17924
has alternative id: CHEBI:21091
has alternative id: CHEBI:4246
has alternative id: CHEBI:45559
has related synonym: D-(-)-sorbitol
has exact synonym: D-Glucitol
has related synonym: D-SORBITOL
has related synonym: D-Sorbit
has related synonym: D-Sorbitol
has exact synonym: D-glucitol
has related synonym: D-sorbitol
has db xref: DrugBank:DB01638
has db xref: Drug_Central:2462
has related synonym: E 420
has related synonym: E-420
has related synonym: E420
inchikey: FBPFZTCFMRRESA-JGWLITMVSA-N
has related synonym: G-ol
has related synonym: Glc-ol
has db xref: Gmelin:83162
has db xref: HMDB:HMDB0000247
inchi: InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6-/m1/s1
has db xref: KEGG:C00794
has db xref: KEGG:D00096
has db xref: KNApSAcK:C00001173
has related synonym: L-Gulitol
smiles: OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
has db xref: PDBeChem:SOR
has db xref: PMID:16901854
has db xref: PMID:17336832
has db xref: PMID:17979222
has db xref: PMID:19443021
has db xref: PMID:19695255
has db xref: PMID:22735334
has db xref: PMID:22878210
has db xref: PMID:23683321
has db xref: PMID:24643482
has db xref: PMID:25108762
has db xref: PMID:25568069
has db xref: PPDB:1320
has db xref: Reaxys:1721899
IAO_0000115: The D-enantiomer of glucitol (also known as D-sorbitol).
has db xref: Wikipedia:Sorbitol
has OBO namespace: chebi_ontology
in subset: 3 STAR

calcidiol
type: Class
subclass of: diol
subclass of: hydroxycalciol
subclass of: D3 vitamins
has exact synonym: (3S,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-3,25-diol
has related synonym: (3S,5Z,7E)-9,10-secocholesta-5,7,10-triene-3,25-diol
has related synonym: (3beta,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-3,25-diol
has related synonym: (5Z,7E)-(3S)-9,10-secocholesta-5,7,10(19)-triene-3,25-diol
charge: 0
has related synonym: 25(OH)D3
has related synonym: 25-Hydroxyvitamin D3
has related synonym: 25-hydroxycholecalciferol
has related synonym: 25-hydroxyvitamin D3
has related synonym: 3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANOL
monoisotopicmass: 400.334
mass: 400.63706
IAO_0000115: A hydroxycalciol that is calciol in which the hydrogen at position 25 has been replaced by a hydroxy group. A prehormone resulting from the oxidation of calciol in the liver, it is further hydroxylated in the kidney to give calcitriol, the active form of vitamin D3.
has db xref: Beilstein:4270041
formula: C27H44O2
has db xref: CAS:19356-17-3
has alternative id: CHEBI:13931
id: CHEBI:17933
has alternative id: CHEBI:19815
has alternative id: CHEBI:3304
has alternative id: CHEBI:46387
has exact synonym: Calcidiol
has related synonym: Calcifediol
has related synonym: Calcifediol anhydrous
has db xref: DrugBank:DB00146
has db xref: Drug_Central:464
inchi: InChI=1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3/b21-11+,22-12-/t20-,23+,24-,25+,27-/m1/s1
inchikey: JWUBBDSIWDLEOM-DTOXIADCSA-N
has db xref: KEGG:C01561
has db xref: LIPID_MAPS_instance:LMST03020246
has db xref: PDBeChem:VDY
has db xref: PMID:16549446
has db xref: PMID:18689406
has db xref: PMID:22487892
has db xref: PMID:22536761
has db xref: PMID:23090338
has db xref: PMID:23566108
has db xref: PMID:9080330
has related synonym: Rayaldee
has db xref: Reaxys:4270041
has db xref: Wikipedia:Calcifediol
smiles: [H][C@@]1(CC[C@]2([H])[C@]1(C)CCC\C2=C/C=C1/C[C@@H](O)CCC1=C)[C@H](C)CCCC(C)(C)O
has exact synonym: calcidiol
has related synonym: calcifediol
has related synonym: calcifediolum
has OBO namespace: chebi_ontology
in subset: 3 STAR

butyrate
type: Class
subclass of: fatty acid anion 4:0
charge: -1
has related synonym: 1-butanoate
has related synonym: 1-butyrate
has related synonym: 1-propanecarboxylate
monoisotopicmass: 87.045
mass: 87.09718
IAO_0000115: A short-chain fatty acid anion that is the conjugate base of butyric acid, obtained by deprotonation of the carboxy group.
has db xref: Beilstein:3601060
formula: C4H7O2
has db xref: CAS:461-55-2
smiles: CCCC([O-])=O
has related synonym: CH3-[CH2]2-COO(-)
has alternative id: CHEBI:13924
id: CHEBI:17968
has alternative id: CHEBI:22946
inchikey: FERIUCNNQQJTOY-UHFFFAOYSA-M
has db xref: Gmelin:324289
inchi: InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)/p-1
has db xref: KEGG:C00246
has db xref: MetaCyc:BUTYRIC_ACID
has db xref: PMID:17190852
has db xref: PMID:7496326
has db xref: Reaxys:3601060
has db xref: UM-BBD_compID:c0035
has related synonym: butanate
has related synonym: butanoate
has exact synonym: butanoate
has related synonym: butanoic acid, ion(1-)
has exact synonym: butyrate
has OBO namespace: chebi_ontology
has related synonym: n-butanoate
has related synonym: n-butyrate
has related synonym: propanecarboxylate
has related synonym: propylformate
in subset: 3 STAR

ribonucleoside triphosphate
type: Class
subclass of: nucleoside triphosphate
charge: 0
monoisotopicmass: 372.949
mass: 373.063
formula: C5H12O13P3R
has alternative id: CHEBI:15047
id: CHEBI:17972
has alternative id: CHEBI:26559
has alternative id: CHEBI:8846
has db xref: KEGG:C03802
has exact synonym: Ribonucleoside triphosphate
has OBO namespace: chebi_ontology
has related synonym: ribonucleoside triphosphates
in subset: 3 STAR

chloride
type: Class
subclass of: halide anion
subclass of: monoatomic chlorine
charge: -1
monoisotopicmass: 34.969
mass: 35.45270
IAO_0000115: A halide anion formed when chlorine picks up an electron to form an an anion.
has db xref: Beilstein:3587171
has db xref: CAS:16887-00-6
has alternative id: CHEBI:13291
has alternative id: CHEBI:13970
id: CHEBI:17996
has alternative id: CHEBI:3616
has alternative id: CHEBI:3731
has alternative id: CHEBI:48804
has related synonym: CHLORIDE ION
has exact synonym: Chloride
has related synonym: Chloride ion
has related synonym: Chloride(1-)
has related synonym: Chlorine anion
formula: Cl
has related synonym: Cl(-)
has related synonym: Cl-
has db xref: Gmelin:14910
inchi: InChI=1S/ClH/h1H/p-1
has db xref: KEGG:C00115
has db xref: KEGG:C00698
has db xref: PDBeChem:CL
has db xref: UM-BBD_compID:c0884
inchikey: VEXZGXHMUGYJMC-UHFFFAOYSA-M
smiles: [Cl-]
has OBO namespace: chebi_ontology
has exact synonym: chloride
has exact synonym: chloride(1-)
in subset: 3 STAR

dialkyl ketone
type: Class
subclass of: ketone
charge: 0
monoisotopicmass: 27.995
mass: 28.01010
has alternative id: CHEBI:14136
id: CHEBI:18044
has alternative id: CHEBI:23663
has alternative id: CHEBI:4485
formula: COR2
has exact synonym: Dialkyl ketone
has db xref: KEGG:C02146
smiles: [*]C([*])=O
has OBO namespace: chebi_ontology
has exact synonym: dialkyl ketone
has related synonym: dialkyl ketones
in subset: 3 STAR

lipid
type: Class
subclass of: organic molecular entity
IAO_0000115: 'Lipids' is a loosely defined term for substances of biological origin that are soluble in nonpolar solvents. They consist of saponifiable lipids, such as glycerides (fats and oils) and phospholipids, as well as nonsaponifiable lipids, principally steroids.
has alternative id: CHEBI:14517
id: CHEBI:18059
has alternative id: CHEBI:25054
has alternative id: CHEBI:6486
has db xref: KEGG:C01356
has exact synonym: Lipid
has OBO namespace: chebi_ontology
has exact synonym: lipids
in subset: 3 STAR

phylloquinone
type: Class
subclass of: phylloquinones
charge: 0
has related synonym: 2-Methyl-3-(3,7,11,15-tetramethyl-2-hexadecenyl)-1,4-naphthalenedione
has related synonym: 2-Methyl-3-[(2E)-3,7,11,15-tetramethyl-2-hexadecenyl]naphthoquinone
has related synonym: 2-Methyl-3-phytyl-1,4-naphthochinon
has related synonym: 2-Methyl-3-phytyl-1,4-naphthoquinone
has exact synonym: 2-methyl-3-[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]naphthalene-1,4-dione
has related synonym: 3-Phytylmenadione
monoisotopicmass: 450.350
mass: 450.69570
IAO_0000115: A member of the class of phylloquinones that consists of 1,4-naphthoquinone having methyl and phytyl groups at positions 2 and 3 respectively. The parent of the class of phylloquinones.
formula: C31H46O2
has db xref: CAS:84-80-0
has alternative id: CHEBI:11611
has alternative id: CHEBI:14833
id: CHEBI:18067
has alternative id: CHEBI:26105
has alternative id: CHEBI:45148
has alternative id: CHEBI:8181
has db xref: DrugBank:DB01022
has db xref: Drug_Central:2843
has db xref: HMDB:HMDB0003555
inchi: InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+/t23-,24-/m1/s1
has db xref: KEGG:C02059
has db xref: KEGG:D00148
has db xref: KNApSAcK:C00002868
inchikey: MBWXNTAXLNYFJB-NKFFZRIASA-N
has db xref: PDBeChem:PQN
has exact synonym: PHYLLOQUINONE
has db xref: PMID:11003724
has db xref: PMID:15686525
has db xref: PMID:19588895
has db xref: PMID:19996170
has db xref: PMID:21169510
has db xref: PMID:21645693
has db xref: PMID:21844348
has db xref: PMID:21914559
has related synonym: Phyllochinon
has related synonym: Phyllochinonum
has exact synonym: Phylloquinone
has related synonym: Phytomenadione
has related synonym: Phytonadione
has related synonym: Phytonadionum
has related synonym: Phytylmenadione
has db xref: Reaxys:2568816
has related synonym: Vitamin K1
has db xref: Wikipedia:Phytonadione
has related synonym: alpha-phylloquinone
has OBO namespace: chebi_ontology
has related synonym: fitomenadiona
has exact synonym: phylloquinone
has related synonym: phytomenadionum
has related synonym: trans-Phylloquinone
in subset: 3 STAR

glycosaminoglycan
type: Class
subclass of: aminoglycan
IAO_0000115: Any polysaccharide containing a substantial proportion of aminomonosaccharide residues.
has alternative id: CHEBI:14361
id: CHEBI:18085
has alternative id: CHEBI:24398
has alternative id: CHEBI:5495
has exact synonym: Glycosaminoglycan
has related synonym: Glykosaminoglykan
has db xref: KEGG:C02545
has db xref: Wikipedia:Glycosaminoglycan
has OBO namespace: chebi_ontology
has related synonym: glicosaminoglicano
has exact synonym: glycosaminoglycan
has related synonym: glycosaminoglycane
has related synonym: glycosaminoglycans
in subset: 3 STAR

N-benzoylglycine
type: Class
subclass of: N-acylglycine
charge: 0
monoisotopicmass: 179.058
mass: 179.17270
IAO_0000115: An N-acylglycine in which the acyl group is specified as benzoyl.
has related synonym: Benzamidoacetic acid
has related synonym: Benzamidoessigsaeure
has related synonym: Benzoylaminoacetic acid
has related synonym: Benzoylaminoessigsaeure
formula: C9H9NO3
has db xref: CAS:495-69-2
has alternative id: CHEBI:12492
has alternative id: CHEBI:14400
id: CHEBI:18089
has alternative id: CHEBI:24595
has alternative id: CHEBI:5725
has db xref: HMDB:HMDB0000714
has related synonym: Hippurate
has related synonym: Hippuric acid
has related synonym: Hippursaeure
inchi: InChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12)
has db xref: KEGG:C01586
has db xref: KNApSAcK:C00030483
has db xref: MetaCyc:CPD-425
has exact synonym: N-Benzoylglycine
has exact synonym: N-benzoylglycine
smiles: OC(=O)CNC(=O)c1ccccc1
has db xref: PMID:14646363
has db xref: PMID:15879000
has db xref: PMID:16760132
has db xref: PMID:17190852
has db xref: PMID:19283696
has db xref: PMID:19891605
has db xref: PMID:20405919
has db xref: PMID:22770225
has db xref: PMID:7153346
has db xref: PMID:8734460
has db xref: PMID:9120876
has db xref: PMID:9609721
has related synonym: Phenylcarbonylaminoacetic acid
inchikey: QIAFMBKCNZACKA-UHFFFAOYSA-N
has db xref: Reaxys:1073987
has db xref: Wikipedia:Hippuric_acid
has OBO namespace: chebi_ontology
in subset: 3 STAR

trans-4-hydroxy-L-proline
type: Class
subclass of: 4-hydroxyproline
has related synonym: (2S,4R)-4-hydroxy-2-pyrrolidinecarboxylic acid
has related synonym: (2S,4R)-trans-4-hydroxyproline
has exact synonym: (4R)-4-hydroxy-L-proline
charge: 0
monoisotopicmass: 131.058
mass: 131.12990
IAO_0000115: An optically active form of 4-hydroxyproline having L-trans-configuration.
formula: C5H9NO3
has db xref: CAS:51-35-4
has alternative id: CHEBI:10714
has alternative id: CHEBI:12864
id: CHEBI:18095
has alternative id: CHEBI:27060
has alternative id: CHEBI:43172
has alternative id: CHEBI:43210
has alternative id: CHEBI:43227
has alternative id: CHEBI:43318
has alternative id: CHEBI:49360
has db xref: Drug_Central:4272
has db xref: HMDB:HMDB0000725
has related synonym: Hydroxy-L-proline
has related synonym: Hydroxyproline
has related synonym: Hyp
has related synonym: Hypro
inchi: InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1
has db xref: KEGG:C01157
has db xref: KNApSAcK:C00001370
has related synonym: L-4-Hydroxyproline
has related synonym: L-threo-4-hydroxyproline
has db xref: MetaCyc:4-HYDROXY-L-PROLINE
smiles: O[C@H]1CN[C@@H](C1)C(O)=O
has db xref: PDBeChem:HYP
has db xref: PMID:1117843
has db xref: PMID:1166829
has db xref: PMID:12148113
has db xref: PMID:14104082
has db xref: PMID:14995121
has db xref: PMID:15558350
has db xref: PMID:16096557
has db xref: PMID:16656634
has db xref: PMID:16662024
has db xref: PMID:16665943
has db xref: PMID:17021603
has db xref: PMID:19286848
has db xref: PMID:590925
has db xref: PMID:616023
has db xref: PMID:6616407
has db xref: PMID:6625779
has db xref: PMID:6783274
has db xref: PMID:7248905
has db xref: PMID:7283558
has db xref: PMID:7446210
has db xref: PMID:899882
has db xref: PMID:946341
inchikey: PMMYEEVYMWASQN-DMTCNVIQSA-N
has db xref: Reaxys:81441
has OBO namespace: chebi_ontology
has related synonym: delta-hydroxyproline
has exact synonym: trans-4-Hydroxy-L-proline
has exact synonym: trans-4-hydroxy-L-proline
has related synonym: trans-Hydroxyproline
has related synonym: trans-L-Hydroxyproline
in subset: 3 STAR

cyclohexanol
type: Class
subclass of: cyclohexanols
subclass of: secondary alcohol
charge: 0
has related synonym: 1-Cyclohexanol
monoisotopicmass: 100.089
mass: 100.15888
IAO_0000115: An alcohol that consists of cyclohexane bearing a single hydroxy substituent. The parent of the class of cyclohexanols.
formula: C6H12O
has db xref: CAS:108-93-0
has alternative id: CHEBI:14051
id: CHEBI:18099
has alternative id: CHEBI:23471
has alternative id: CHEBI:4013
has alternative id: CHEBI:41739
has related synonym: Cyclohexan-1-ol
has exact synonym: Cyclohexanol
has related synonym: Cyclohexyl alcohol
has db xref: DrugBank:DB03703
inchikey: HPXRVTGHNJAIIH-UHFFFAOYSA-N
has related synonym: Hexahydrophenol
has related synonym: Hexalin
has related synonym: Hydrophenol
has related synonym: Hydroxycyclohexane
inchi: InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2
has db xref: KEGG:C00854
has db xref: MetaCyc:CYCLOHEXANOL
smiles: OC1CCCCC1
has db xref: PDBeChem:CXL
has db xref: PMID:11682644
has db xref: PMID:23825601
has db xref: Reaxys:906744
has db xref: UM-BBD_compID:c0175
has db xref: Wikipedia:Cyclohexanol
has OBO namespace: chebi_ontology
has exact synonym: cyclohexanol
in subset: 3 STAR

4-hydroxyphenylacetic acid
type: Class
subclass of: monocarboxylic acid
subclass of: phenols
has exact synonym: (4-hydroxyphenyl)acetic acid
has related synonym: (p-hydroxyphenyl)acetic acid
charge: 0
monoisotopicmass: 152.047
mass: 152.14732
has related synonym: 4-Hydroxyphenylacetate
has exact synonym: 4-Hydroxyphenylacetic acid
has related synonym: 4-carboxymethylphenol
has related synonym: 4-hydroxybenzeneacetic acid
has exact synonym: 4-hydroxyphenylacetic acid
IAO_0000115: A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is substituted by a 4-hydroxyphenyl group.
formula: C8H8O3
has db xref: CAS:156-38-7
has alternative id: CHEBI:12014
id: CHEBI:18101
has alternative id: CHEBI:1874
has alternative id: CHEBI:20419
has alternative id: CHEBI:40091
has db xref: HMDB:HMDB0000020
inchi: InChI=1S/C8H8O3/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11)
has db xref: KEGG:C00642
has db xref: MetaCyc:4-HYDROXYPHENYLACETATE
smiles: OC(=O)Cc1ccc(O)cc1
has db xref: PDBeChem:4HP
has db xref: PMID:11339992
has db xref: PMID:21476434
has db xref: PMID:22296160
has db xref: PMID:24636068
has db xref: PMID:24831010
has db xref: PMID:7126379
has db xref: PMID:977696
has db xref: Reaxys:1448766
has db xref: UM-BBD_compID:c0271
has db xref: Wikipedia:4-hydroxyphenylacetic_acid
inchikey: XQXPVVBIMDBYFF-UHFFFAOYSA-N
has OBO namespace: chebi_ontology
has related synonym: p-hydroxyphenylacetic acid
in subset: 3 STAR

hexose
type: Class
subclass of: monosaccharide
IAO_0000115: Any six-carbon monosaccharide which in its linear form contains either an aldehyde group at position 1 (aldohexose) or a ketone group at position 2 (ketohexose).
has alternative id: CHEBI:14399
id: CHEBI:18133
has alternative id: CHEBI:24590
has alternative id: CHEBI:5709
has exact synonym: Hexose
has db xref: KEGG:C00738
has OBO namespace: chebi_ontology
has exact synonym: hexose
has related synonym: hexoses
in subset: 3 STAR

trimethylamine
type: Class
subclass of: methylamines
subclass of: tertiary amine
has related synonym: (CH3)3N
charge: 0
monoisotopicmass: 59.073
mass: 59.11030
IAO_0000115: A tertiary amine that is ammonia in which each hydrogen atom is substituted by an methyl group.
has db xref: Beilstein:956566
formula: C3H9N
has db xref: CAS:75-50-3
has alternative id: CHEBI:15261
id: CHEBI:18139
has alternative id: CHEBI:27125
has alternative id: CHEBI:27127
has alternative id: CHEBI:9732
smiles: CN(C)C
inchikey: GETQZCLCWQTVFV-UHFFFAOYSA-N
has db xref: Gmelin:1309
has db xref: HMDB:HMDB0000906
inchi: InChI=1S/C3H9N/c1-4(2)3/h1-3H3
has db xref: KEGG:C00565
has db xref: KNApSAcK:C00001433
has db xref: MetaCyc:TRIMETHYLAMINE
has related synonym: N(CH3)3
has related synonym: N,N,N-trimethylamine
has related synonym: N,N-Dimethylmethanamine
has exact synonym: N,N-dimethylmethanamine
has related synonym: NMe3
has db xref: PDBeChem:KEN
has db xref: PMID:14047118
has db xref: PMID:15304308
has db xref: PMID:15752091
has db xref: PMID:17190852
has db xref: PMID:1801314
has db xref: PMID:24591617
has db xref: PMID:2501587
has db xref: PMID:5161463
has db xref: Reaxys:956566
has related synonym: TMA
has related synonym: Trimethylamin
has exact synonym: Trimethylamine
has db xref: Wikipedia:Trimethylamine
has OBO namespace: chebi_ontology
has related synonym: tridimethylaminomethane
in subset: 3 STAR

hydrogen halide
type: Class
subclass of: hydracid
charge: 0
has alternative id: CHEBI:13368
id: CHEBI:18140
has alternative id: CHEBI:37140
has alternative id: CHEBI:5599
formula: HX
has related synonym: HX
smiles: [F,Cl,Br,I]
has OBO namespace: chebi_ontology
has exact synonym: hydrogen halide
has exact synonym: hydrogen halides
has related synonym: hydrogen halides
in subset: 3 STAR

polysaccharide
type: Class
subclass of: carbohydrate
subclass of: biomacromolecule
IAO_0000115: A biomacromolecule consisting of large numbers of monosaccharide residues linked glycosidically. This term is commonly used only for those containing more than ten monosaccharide residues.
has alternative id: CHEBI:14864
id: CHEBI:18154
has alternative id: CHEBI:26205
has alternative id: CHEBI:8322
has related synonym: Glycan
has related synonym: Glycane
has related synonym: Glykan
has related synonym: Glykane
has db xref: KEGG:C00420
has exact synonym: Polysaccharide
has OBO namespace: chebi_ontology
has related synonym: glycans
has related synonym: polisacarido
has related synonym: polisacaridos
has exact synonym: polysaccharides
in subset: 3 STAR

5-oxo-L-proline
type: Class
subclass of: 5-oxoproline
subclass of: non-proteinogenic L-alpha-amino acid
subclass of: L-proline derivative
has related synonym: (-)-2-pyrrolidone-5-carboxylic acid
has exact synonym: (2S)-5-oxopyrrolidine-2-carboxylic acid
has related synonym: (S)-(-)-2-pyrrolidone-5-carboxylic acid
has related synonym: (S)-pyroglutamic acid
charge: 0
monoisotopicmass: 129.043
mass: 129.11400
has exact synonym: 5-Oxo-L-proline
has related synonym: 5-Pyrrolidone-2-carboxylic acid
has exact synonym: 5-oxo-L-proline
IAO_0000115: An optically active form of 5-oxoproline having L-configuration.
has db xref: Beilstein:5251861
has db xref: Beilstein:82132
formula: C5H7NO3
has db xref: CAS:98-79-3
has alternative id: CHEBI:12153
id: CHEBI:18183
has alternative id: CHEBI:20619
has alternative id: CHEBI:2113
has alternative id: CHEBI:44704
has db xref: DrugBank:DB03088
has db xref: Gmelin:1125330
has db xref: HMDB:HMDB0000267
inchi: InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1
has db xref: KEGG:C01879
has db xref: KNApSAcK:C00007403
has related synonym: L-5-Pyrrolidone-2-carboxylic acid
has related synonym: L-Pyroglutamic acid
has db xref: MetaCyc:5-OXOPROLINE
smiles: OC(=O)[C@@H]1CCC(=O)N1
inchikey: ODHCTXKNWHHXJC-VKHMYHEASA-N
has db xref: PDBeChem:PCA
has db xref: PMID:17439666
has db xref: PMID:22560249
has db xref: PMID:22619187
has related synonym: PYROGLUTAMIC ACID
has related synonym: Pyroglutamate
has related synonym: Pyroglutamic acid
has db xref: Reaxys:82132
has db xref: Wikipedia:Pyroglutamic_acid
has db xref: YMDB:YMDB00107
has OBO namespace: chebi_ontology
has related synonym: pidolic acid
in subset: 3 STAR

tyrosine
type: Class
subclass of: alpha-amino acid
subclass of: aromatic amino acid
subclass of: Restriction
  on property: has part
  some values from: 4-hydroxybenzyl group
charge: 0
monoisotopicmass: 181.074
mass: 181.18858
has related synonym: 2-Amino-3-(p-hydroxyphenyl)propionic acid
has related synonym: 2-amino-3-(4-hydroxyphenyl)propanoic acid
has related synonym: 3-(p-Hydroxyphenyl)alanine
IAO_0000115: An alpha-amino acid that is phenylalanine bearing a hydroxy substituent at position 4 on the phenyl ring.
has db xref: Beilstein:515881
formula: C9H11NO3
has db xref: CAS:55520-40-6
has db xref: CAS:556-03-6
has alternative id: CHEBI:15277
id: CHEBI:18186
has alternative id: CHEBI:27176
has alternative id: CHEBI:9800
has db xref: Gmelin:27744
inchi: InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)
has db xref: KEGG:C01536
has db xref: KNApSAcK:C00001397
smiles: NC(Cc1ccc(O)cc1)C(O)=O
inchikey: OUYCCCASQSFEME-UHFFFAOYSA-N
has db xref: PMID:17190852
has db xref: Reaxys:515881
has related synonym: Tyr
has related synonym: Tyrosin
has exact synonym: Tyrosine
has related synonym: Y
has OBO namespace: chebi_ontology
has related synonym: tirosina
has exact synonym: tyrosine
in subset: 3 STAR

citrulline
type: Class
subclass of: citrullines
charge: 0
monoisotopicmass: 175.096
mass: 175.18584
has related synonym: 2-Amino-5-uredovaleric acid
has exact synonym: 2-amino-5-(carbamoylamino)pentanoic acid
has db xref: Beilstein:1725417
has db xref: Beilstein:2328251
formula: C6H13N3O3
has db xref: CAS:627-77-0
has alternative id: CHEBI:14002
id: CHEBI:18211
has alternative id: CHEBI:3730
has related synonym: Cit
has related synonym: Citrullin
has exact synonym: Citrulline
has related synonym: DL-2-amino-5-ureidovaleric acid
inchi: InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)
has related synonym: N(5)-(aminocarbonyl)-DL-ornithine
has related synonym: N(5)-(aminocarbonyl)ornithine
has related synonym: N(5)-carbamoyl-DL-ornithine
has exact synonym: N(5)-carbamoylornithine
smiles: NC(CCCNC(N)=O)C(O)=O
has db xref: PMID:11094453
has db xref: PMID:11113071
has db xref: PMID:11696417
has db xref: PMID:1378088
has db xref: PMID:16082501
has db xref: PMID:16708633
has db xref: PMID:17005970
has db xref: PMID:17513438
has db xref: PMID:17558653
has db xref: PMID:17693747
has db xref: PMID:18437289
has db xref: PMID:18440672
has db xref: PMID:18989563
has db xref: PMID:19144577
has db xref: PMID:21129371
has db xref: PMID:21482070
inchikey: RHGKLRLOHDJJDR-UHFFFAOYSA-N
has db xref: Reaxys:1725417
IAO_0000115: The parent compound of the citrulline class consisting of ornithine having a carbamoyl group at the N(5)-position.
has db xref: Wikipedia:Citrulline
has OBO namespace: chebi_ontology
has related synonym: citrulina
has exact synonym: citrulline
has related synonym: dl-citrulline
in subset: 3 STAR

glutamic acid
type: Class
subclass of: alpha-amino acid
subclass of: Restriction
  on property: has part
  some values from: 2-carboxyethyl group
charge: 0
monoisotopicmass: 147.053
mass: 147.12930
has related synonym: 2-Aminoglutaric acid
has exact synonym: 2-aminopentanedioic acid
IAO_0000115: An alpha-amino acid that is glutaric acid bearing a single amino substituent at position 2.
has db xref: Beilstein:1723799
formula: C5H9NO4
has db xref: CAS:617-65-2
id: CHEBI:18237
has alternative id: CHEBI:24314
has alternative id: CHEBI:5431
has related synonym: DL-Glutamic acid
has related synonym: DL-Glutaminic acid
has related synonym: E
has related synonym: Glu
has related synonym: Glutamate
has exact synonym: Glutamic acid
has related synonym: Glutaminic acid
has related synonym: Glutaminsaeure
has db xref: Gmelin:101971
inchi: InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)
has db xref: KEGG:C00302
has db xref: KEGG:D04341
has db xref: KNApSAcK:C00001358
has db xref: KNApSAcK:C00019577
smiles: NC(CCC(O)=O)C(O)=O
has db xref: PMID:15739367
has db xref: PMID:17190852
has db xref: PMID:24616376
has db xref: PMID:24984001
has db xref: Reaxys:1723799
inchikey: WHUUTDBJXJRKMK-UHFFFAOYSA-N
has db xref: Wikipedia:Glutamic_acid
has OBO namespace: chebi_ontology
has exact synonym: glutamic acid
in subset: 3 STAR

4-hydroxy-L-proline
type: Class
subclass of: 4-hydroxyproline
subclass of: non-proteinogenic L-alpha-amino acid
subclass of: L-proline derivative
has related synonym: (2S)-4-hydroxypyrrolidine-2-carboxylic acid
charge: 0
monoisotopicmass: 131.058
mass: 131.12990
has exact synonym: 4-Hydroxy-L-proline
has exact synonym: 4-hydroxy-L-proline
formula: C5H9NO3
has db xref: CAS:51-35-4
has alternative id: CHEBI:11999
id: CHEBI:18240
has alternative id: CHEBI:1852
has db xref: HMDB:HMDB0006055
inchi: InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3?,4-/m0/s1
has db xref: KEGG:C01015
has db xref: KNApSAcK:C00001370
has related synonym: L-Hydroxyproline
smiles: OC1CN[C@@H](C1)C(O)=O
inchikey: PMMYEEVYMWASQN-BKLSDQPFSA-N
has db xref: Reaxys:81441
IAO_0000115: The L-stereoisomer of 4-hydroxyproline.
has db xref: Wikipedia:4-hydroxy-L-proline
has OBO namespace: chebi_ontology
has related synonym: cis-4-Hydroxy-L-Proline
has related synonym: hydroxy-L-proline
in subset: 3 STAR

dopamine
type: Class
subclass of: catecholamine
charge: 0
monoisotopicmass: 153.079
mass: 153.17840
has related synonym: 2-(3,4-Dihydroxyphenyl)ethylamine
has related synonym: 2-(3,4-dihydroxyphenyl)ethylamine
has related synonym: 3,4-Dihydroxyphenethylamine
has related synonym: 3-Hydroxytyramine
has related synonym: 4-(2-Aminoethyl)-1,2-benzenediol
has related synonym: 4-(2-Aminoethyl)benzene-1,2-diol
has related synonym: 4-(2-aminoethyl)-1,2-benzenediol
has exact synonym: 4-(2-aminoethyl)benzene-1,2-diol
has related synonym: 4-(2-aminoethyl)catechol
has related synonym: 4-(2-aminoethyl)pyrocatechol
formula: C8H11NO2
has db xref: CAS:51-61-6
has alternative id: CHEBI:11695
has alternative id: CHEBI:11930
has alternative id: CHEBI:14203
has alternative id: CHEBI:1764
id: CHEBI:18243
has alternative id: CHEBI:23886
has alternative id: CHEBI:43686
IAO_0000115: Catechol in which the hydrogen at position 4 is substituted by a 2-aminoethyl group.
has related synonym: Deoxyepinephrine
has exact synonym: Dopamine
has db xref: DrugBank:DB00988
has db xref: Drug_Central:947
has db xref: HMDB:HMDB0000073
has related synonym: Hydroxytyramin
inchi: InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
has db xref: KEGG:C03758
has db xref: KEGG:D07870
has db xref: KNApSAcK:C00001408
has db xref: LINCS:LSM-4630
has db xref: MetaCyc:DOPAMINE
smiles: NCCc1ccc(O)c(O)c1
has db xref: PMID:10629745
has db xref: PMID:11149432
has db xref: PMID:9422813
has db xref: Reaxys:1072822
inchikey: VYFYYTLLBUKUHU-UHFFFAOYSA-N
has db xref: Wikipedia:Dopamine
has OBO namespace: chebi_ontology
has related synonym: dopamina
has related synonym: dopamine
has related synonym: dopaminum
in subset: 3 STAR

iron atom
type: Class
subclass of: iron group element atom
charge: 0
has related synonym: 26Fe
mass: 55.84500
monoisotopicmass: 55.935
IAO_0000115: An iron group element atom that has atomic number 26.
has db xref: CAS:7439-89-6
has alternative id: CHEBI:13322
id: CHEBI:18248
has alternative id: CHEBI:24872
has alternative id: CHEBI:5974
has db xref: DrugBank:DB01592
has related synonym: Eisen
has related synonym: Fe
formula: Fe
has db xref: HMDB:HMDB0015531
inchi: InChI=1S/Fe
has related synonym: Iron
has db xref: KEGG:C00023
has db xref: Reaxys:4122945
has db xref: WebElements:Fe
inchikey: XEEYBQQBJWHFJM-UHFFFAOYSA-N
smiles: [Fe]
has OBO namespace: chebi_ontology
has related synonym: fer
has related synonym: ferrum
has related synonym: hierro
has exact synonym: iron
has related synonym: iron
in subset: 3 STAR

ribonucleoside
type: Class
subclass of: nucleoside
subclass of: dihydroxytetrahydrofuran
charge: 0
monoisotopicmass: 133.050
IAO_0000115: Any nucleoside where the sugar component is D-ribose.
formula: C5H9O4R
has alternative id: CHEBI:13014
has alternative id: CHEBI:13015
has alternative id: CHEBI:13685
id: CHEBI:18254
has alternative id: CHEBI:21085
has alternative id: CHEBI:26560
has alternative id: CHEBI:4240
has alternative id: CHEBI:8844
has db xref: KEGG:C00911
smiles: OC[C@H]1O[C@@H]([*])[C@H](O)[C@@H]1O
has exact synonym: Ribonucleoside
has related synonym: a ribonucleoside
has OBO namespace: chebi_ontology
has related synonym: ribonucleosides
in subset: 3 STAR

ornithine
type: Class
subclass of: non-proteinogenic alpha-amino acid
charge: 0
monoisotopicmass: 132.090
mass: 132.16106
has related synonym: 2,5-Diaminopentanoic acid
has related synonym: 2,5-Diaminovaleric acid
has exact synonym: 2,5-diaminopentanoic acid
inchikey: AHLPHDHHMVZTML-UHFFFAOYSA-N
IAO_0000115: An alpha-amino acid that is pentanoic acid bearing two amino substituents at positions 2 and 5.
has db xref: Beilstein:1722296
formula: C5H12N2O2
has db xref: CAS:616-07-9
id: CHEBI:18257
has alternative id: CHEBI:7784
has related synonym: DL-Ornithine
has db xref: Gmelin:847696
inchi: InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)
has db xref: KEGG:C01602
has db xref: KNApSAcK:C00001384
smiles: NCCCC(N)C(O)=O
has related synonym: Orn
has exact synonym: Ornithine
has db xref: PMID:15449570
has db xref: PMID:17190852
has db xref: PMID:22264337
has db xref: Reaxys:1722296
has OBO namespace: chebi_ontology
has exact synonym: ornithine
in subset: 3 STAR

3,3',5-triiodo-L-thyronine
type: Class
subclass of: iodophenol
subclass of: iodothyronine
subclass of: 2-halophenol
charge: 0
has exact synonym: 3,3',5-triiodo-L-thyronine
has related synonym: 3,5,3'-Triiodo-L-thyronine
has related synonym: 3,5,3'-Triiodothyronine
has related synonym: 3,5,3'TRIIODOTHYRONINE
has related synonym: 4-(4-hydroxy-3-iodophenoxy)-3,5-diiodo-L-phenylalanine
monoisotopicmass: 650.790
mass: 650.97350
inchikey: AUYYCJSJGJYCDS-LBPRGKRZSA-N
IAO_0000115: An iodothyronine compound having iodo substituents at the 3-, 3'- and 5-positions. Although some is produced in the thyroid, most of the 3,3',5-triiodo-L-thyronine in the body is generated by mono-deiodination of L-thyroxine in the peripheral tissues. Its metabolic activity is about 3 to 5 times that of L-thyroxine. The sodium salt is used in the treatment of hypothyroidism.
has db xref: Beilstein:2710227
formula: C15H12I3NO4
has db xref: CAS:6893-02-3
has alternative id: CHEBI:11701
has alternative id: CHEBI:11702
has alternative id: CHEBI:13059
id: CHEBI:18258
has alternative id: CHEBI:19894
has alternative id: CHEBI:45840
has alternative id: CHEBI:9722
has db xref: DrugBank:DB00279
has db xref: Drug_Central:1585
has db xref: HMDB:HMDB0000265
inchi: InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1
has db xref: KEGG:C02465
has db xref: KEGG:D08128
has related synonym: L-3,5,3'-Triiodothyronine
has related synonym: L-T3
has db xref: LINCS:LSM-3991
has related synonym: Liothyronine
has db xref: MetaCyc:CPD-10813
has related synonym: O-(4-hydroxy-3-iodophenyl)-3,5-diiodo-L-tyrosine
has db xref: PDBeChem:T3
has db xref: PMID:11738632
has db xref: PMID:15206581
has db xref: PMID:19339791
has db xref: Reaxys:2710227
has related synonym: T3
has related synonym: Tertroxin
has related synonym: Tresitope
has related synonym: Triiodothyronine
has db xref: Wikipedia:Triiodothyronine
has OBO namespace: chebi_ontology
has related synonym: liothyronine
has related synonym: liothyroninum
has related synonym: liotironina
in subset: 3 STAR

dihydrogen
type: Class
subclass of: gas molecular entity
subclass of: elemental molecule
subclass of: elemental hydrogen
charge: 0
mass: 2.01588
monoisotopicmass: 2.016
IAO_0000115: An elemental molecule consisting of two hydrogens joined by a single bond.
has db xref: CAS:1333-74-0
has alternative id: CHEBI:13350
id: CHEBI:18276
has alternative id: CHEBI:25363
has alternative id: CHEBI:5785
has related synonym: E 949
has related synonym: E-949
has related synonym: E949
has db xref: Gmelin:3
has related synonym: H2
formula: H2
has db xref: HMDB:HMDB0001362
has related synonym: Hydrogen
inchi: InChI=1S/H2/h1H
has db xref: KEGG:C00282
has db xref: MetaCyc:HYDROGEN-MOLECULE
has db xref: MolBase:748
has db xref: PMID:15303745
has db xref: PMID:16517646
has db xref: PMID:18706888
has db xref: PMID:19905000
has db xref: PMID:19908827
has db xref: PMID:20568549
has db xref: PMID:24171421
has db xref: Reaxys:3587189
inchikey: UFHFLCQGNIYNRP-UHFFFAOYSA-N
has db xref: Wikipedia:Hydrogen
smiles: [H][H]
has OBO namespace: chebi_ontology
has exact synonym: dihydrogen
has related synonym: molecular hydrogen
in subset: 3 STAR

nucleobase
type: Class
subclass of: organonitrogen heterocyclic compound
has related synonym: Base
has alternative id: CHEBI:13873
id: CHEBI:18282
has alternative id: CHEBI:25598
has alternative id: CHEBI:2995
has db xref: KEGG:C00701
IAO_0000115: That part of DNA or RNA that may be involved in pairing.
has db xref: Wikipedia:Nucleobase
has related synonym: a nucleobase
has OBO namespace: chebi_ontology
has related synonym: nucleobases
in subset: 3 STAR

L-fucose
type: Class
subclass of: fucose
has related synonym: (-)-L-fucose
has related synonym: (-)-fucose
charge: 0
mass: 164.15648
has exact synonym: 6-deoxy-L-galactose
IAO_0000115: Any form of fucose having L configuration.
formula: C6H12O5
has db xref: CAS:2438-80-4
has alternative id: CHEBI:13102
id: CHEBI:18287
has alternative id: CHEBI:21293
has related synonym: L-(-)-fucose
has related synonym: L-Fuc
has exact synonym: L-fucose
has related synonym: L-galactomethylose
has db xref: PMID:20877283
has OBO namespace: chebi_ontology
in subset: 3 STAR

histamine
type: Class
subclass of: imidazoles
subclass of: aralkylamino compound
charge: 0
monoisotopicmass: 111.080
mass: 111.14518
has related synonym: 1H-Imidazole-4-ethanamine
has exact synonym: 2-(1H-imidazol-4-yl)ethanamine
has related synonym: 2-(4-Imidazolyl)ethylamine
IAO_0000115: A member of the class of imidazoles that is 1H-imidazole substituted at position C-4 by a 2-aminoethyl group.
has db xref: Beilstein:2012
formula: C5H9N3
has db xref: CAS:51-45-6
has alternative id: CHEBI:14401
id: CHEBI:18295
has alternative id: CHEBI:24596
has alternative id: CHEBI:43187
has alternative id: CHEBI:817
has db xref: Drug_Central:1375
has db xref: Gmelin:2968
has exact synonym: HISTAMINE
has db xref: HMDB:HMDB0000870
has exact synonym: Histamine
inchi: InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
has db xref: KEGG:C00388
has db xref: KEGG:D08040
has db xref: KNApSAcK:C00001414
has db xref: MetaCyc:HISTAMINE
smiles: NCCc1c[nH]cn1
inchikey: NTYJJOPFIAHURM-UHFFFAOYSA-N
has db xref: PDBeChem:HSM
has db xref: PMID:16399866
has db xref: PMID:19547708
has db xref: PMID:19843401
has db xref: PMID:22770225
has db xref: PMID:24101735
has db xref: Reaxys:2012
has db xref: Wikipedia:Histamine
has OBO namespace: chebi_ontology
in subset: 3 STAR

alkane
type: Class
subclass of: hydrocarbon
subclass of: aliphatic compound
charge: 0
monoisotopicmass: 15.023
has related synonym: Alkan
has exact synonym: Alkane
IAO_0000115: An acyclic branched or unbranched hydrocarbon having the general formula CnH2n+2, and therefore consisting entirely of hydrogen atoms and saturated carbon atoms.
formula: CH3R
has alternative id: CHEBI:13435
id: CHEBI:18310
has alternative id: CHEBI:22317
has alternative id: CHEBI:2576
smiles: C[*]
has db xref: KEGG:C01371
has related synonym: RH
has related synonym: alcane
has related synonym: alcanes
has related synonym: alcano
has related synonym: alcanos
has exact synonym: alkane
has exact synonym: alkanes
has related synonym: an alkane
has OBO namespace: chebi_ontology
in subset: 3 STAR

diphosphate(4-)
type: Class
subclass of: diphosphate ion
charge: -4
monoisotopicmass: 173.912
mass: 173.94332
has db xref: CAS:14000-31-8
has alternative id: CHEBI:13420
id: CHEBI:18361
has alternative id: CHEBI:42009
has related synonym: DIPHOSPHATE
has related synonym: Diphosphat
has related synonym: Diphosphate
has db xref: Gmelin:26938
inchi: InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-4
has db xref: KEGG:C00013
formula: O7P2
has related synonym: P2O7(4-)
has db xref: PDBeChem:DPO
has related synonym: PPi
has related synonym: Pyrophosphat
has related synonym: Pyrophosphate
inchikey: XPPKVPWEQAFLFU-UHFFFAOYSA-J
smiles: [O-]P([O-])(=O)OP([O-])([O-])=O
has related synonym: [O3POPO3](4-)
has OBO namespace: chebi_ontology
has exact synonym: diphosphate
has exact synonym: mu-oxido-bis(trioxidophosphate)(4-)
has exact synonym: mu-oxo-hexaoxodiphosphate
has related synonym: pyrophosphate ion
in subset: 3 STAR

phosphate(3-)
type: Class
subclass of: phosphate ion
subclass of: trivalent inorganic anion
charge: -3
monoisotopicmass: 94.953
mass: 94.97136
IAO_0000115: A phosphate ion that is the conjugate base of hydrogenphosphate.
has db xref: Beilstein:3903772
has db xref: CAS:14265-44-2
has alternative id: CHEBI:14791
id: CHEBI:18367
has alternative id: CHEBI:45024
has alternative id: CHEBI:7793
has db xref: Gmelin:1997
inchi: InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
has db xref: KEGG:C00009
inchikey: NBIIXXVUZAFLBC-UHFFFAOYSA-K
formula: O4P
has related synonym: Orthophosphate
has db xref: PDBeChem:PO4
has related synonym: PHOSPHATE ION
has related synonym: PO4(3-)
has related synonym: Phosphate
has db xref: Reaxys:3903772
smiles: [O-]P([O-])([O-])=O
has related synonym: [PO4](3-)
has OBO namespace: chebi_ontology
has exact synonym: phosphate
has exact synonym: tetraoxidophosphate(3-)
has exact synonym: tetraoxophosphate(3-)
has exact synonym: tetraoxophosphate(V)
in subset: 3 STAR

nucleoside 3',5'-cyclic phosphate
type: Class
subclass of: cyclic nucleotide
charge: 0
monoisotopicmass: 178.003
mass: 178.07980
IAO_0000115: A ribosyl or deoxyribosyl derivative of a pyrimidine or purine base in which C-3 and C-5 of the ribose ring are engaged in formation of a cyclic mono-, di-, tri- or tetra-phosphate.
formula: C5H7O5PR2
has alternative id: CHEBI:1331
has alternative id: CHEBI:14672
id: CHEBI:18375
has alternative id: CHEBI:19833
has OBO namespace: chebi_ontology
has related synonym: nucleoside 3',5'-cyclic phosphates
in subset: 3 STAR

dermatan sulfate
type: Class
subclass of: sulfated glycosaminoglycan
subclass of: mucopolysaccharide
IAO_0000115: Any of a group of glycosaminoglycans with repeating units consisting of variously sulfated beta1->4-linked L-iduronyl-(alpha1->3)-N-acetyl-D-galactosamine units.
has db xref: Beilstein:8390617
has db xref: CAS:24967-94-0
has alternative id: CHEBI:14127
id: CHEBI:18376
has alternative id: CHEBI:23644
has alternative id: CHEBI:4440
has related synonym: Chondroitin sulfate B
has related synonym: Dermatan L-iduronate
formula: H2O.(C14H20NO13S)n
has db xref: KEGG:C00426
has related synonym: beta-Heparin
has OBO namespace: chebi_ontology
in subset: 3 STAR

phenylacetate
type: Class
subclass of: monocarboxylic acid anion
charge: -1
monoisotopicmass: 135.045
mass: 135.13998
has related synonym: 2-phenylacetate
has related synonym: 2-phenylethanoate
IAO_0000115: A monocarboxylic acid anion that is the conjugate base of phenylacetic acid.
has db xref: Beilstein:3539899
formula: C8H7O2
has alternative id: CHEBI:14779
id: CHEBI:18401
has alternative id: CHEBI:25975
has db xref: Gmelin:327522
inchi: InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)/p-1
has db xref: MetaCyc:PHENYLACETATE
has db xref: Reaxys:3539899
has db xref: UM-BBD_compID:c0211
inchikey: WLJVXDMOQOGPHL-UHFFFAOYSA-M
smiles: [O-]C(=O)Cc1ccccc1
has OBO namespace: chebi_ontology
has exact synonym: phenylacetate
has related synonym: phenylacetate anion
has related synonym: phenylacetate(1-)
has related synonym: phenylacetic acid anion
in subset: 3 STAR

cobamamide
type: Class
subclass of: cobalamins
subclass of: corrinoid
has related synonym: (5,6-Dimethylbenzimidazolyl)cobamide coenzyme
has related synonym: (5,6-dimethylbenzimidazolyl)cobamide coenzyme
charge: 0
monoisotopicmass: 1578.658
mass: 1579.58180
has related synonym: 5'-Deoxy-5'-adenosyl vitamin B12
has related synonym: 5'-Deoxy-5'-adenosyl-5,6-dimethylbenzimidazolylcobamide
has related synonym: 5'-Deoxy-5'-adenosylcobalamin
has related synonym: 5'-deoxyadenosyl vitamin B12
has related synonym: 5'-deoxyadenosyl-5,6-dimethylbenzimidazolylcobamide
has related synonym: 5'-deoxyadenosylcobalamin
has related synonym: 5,6-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide
has related synonym: 5,6-Dimethylbenzimidazolyl-Co-5'-deoxy-5'-adenosylcobamide
IAO_0000115: A member of the class of cobalamins that is vitamin B12 in which the cyano group is replaced by a 5'-deoxyadenos-5'-yl moiety. It is one of the two metabolically active form of vitamin B12.
has related synonym: Adenosylcob(III)alamin
has related synonym: Adenosylcobalamin
has related synonym: AdoCbl
has db xref: Beilstein:4122932
formula: C72H100CoN18O17P
has db xref: CAS:13870-90-1
has alternative id: CHEBI:13739
id: CHEBI:18408
has alternative id: CHEBI:23340
has alternative id: CHEBI:3797
has related synonym: Calomide
has exact synonym: Coalpha-[alpha-(5,6-dimethylbenzimidazolyl)]-Cobeta-(5'-deoxy-5'-adenosyl)cobamide
has related synonym: Coalpha-[alpha-(5,6-dimethylbenzimidazolyl)]-Cobeta-adenosylcobamide
has related synonym: Cobalamin coenzyme
has exact synonym: Cobamamide
has related synonym: Coenzyme B12
has related synonym: DBC coenzyme
has related synonym: DMBC coenzyme
has related synonym: Deoxyadenosylcobalamin
has related synonym: Dibencozide
has related synonym: Funacomide
has db xref: Gmelin:439994
has db xref: HMDB:HMDB0002086
has db xref: KEGG:C00194
has db xref: MetaCyc:ADENOSYLCOBALAMIN
has db xref: PDBeChem:B1Z
has db xref: PMID:11792214
has db xref: PMID:12093296
has db xref: PMID:17011224
has db xref: Reaxys:4122932
has related synonym: Vitamin B12 coenzyme
has db xref: Wikipedia:Cobamamide
inchikey: ZIHHMGTYZOSFRC-OUCXYWSSSA-L
has related synonym: adenosylcob(III)alamin
has related synonym: adenosylcobalamin
has related synonym: alpha-(5,6-Dimethylbenzimidazolyl)cobamide coenzyme
has OBO namespace: chebi_ontology
has related synonym: cobamamid
has related synonym: cobamamida
has related synonym: cobamamide
has related synonym: cobamamidum
has related synonym: cobamide coenzyme
has related synonym: coenzyme B-12
in subset: 3 STAR

5-methyltetrahydrofolate(2-)
type: Class
subclass of: 5-methyltetrahydrofolate
subclass of: dicarboxylic acid dianion
has related synonym: (6S)-5-methyl-5,6,7,8-tetrahydrofolate
has related synonym: (6S)-5-methyltetrahydrofolate
charge: -2
monoisotopicmass: 457.171
mass: 457.43990
has db xref: Beilstein:10132446
formula: C20H23N7O6
id: CHEBI:18608
inchi: InChI=1S/C20H25N7O6/c1-27-12(9-23-16-15(27)18(31)26-20(21)25-16)8-22-11-4-2-10(3-5-11)17(30)24-13(19(32)33)6-7-14(28)29/h2-5,12-13,22H,6-9H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H4,21,23,25,26,31)/p-2/t12-,13-/m0/s1
inchikey: ZNOVTXRBGFNYRX-STQMWFEESA-L
has OBO namespace: chebi_ontology
in subset: 3 STAR

nicotine
type: Class
subclass of: racemate
subclass of: Restriction
  on property: has part
  some values from: (R)-nicotine
has related synonym: (+-)-3-(1-Methyl-2-pyrrolidinyl)pyridine
has related synonym: (+-)-nicotine
has related synonym: (R,S)-nicotine
has related synonym: (RS)-nicotine
IAO_0000115: A racemate composed of equimolar amounts of (R)- and (S)-nicotine.
has db xref: Beilstein:82108
has db xref: Beilstein:82111
has db xref: CAS:22083-74-5
id: CHEBI:18723
has db xref: DrugBank:DB00184
has db xref: HMDB:HMDB0014330
has db xref: KEGG:C16150
has db xref: KNApSAcK:C00002057
has db xref: PMID:10751565
has db xref: PMID:11192937
has db xref: PMID:11471991
has db xref: PMID:11559179
has db xref: PMID:11682702
has db xref: PMID:11714820
has db xref: PMID:11719700
has db xref: PMID:11801622
has db xref: PMID:11818389
has db xref: PMID:11860617
has db xref: PMID:12197757
has db xref: PMID:12700710
has db xref: PMID:12965231
has db xref: PMID:14715938
has db xref: PMID:15183514
has db xref: PMID:15251917
has db xref: PMID:15313135
has db xref: PMID:15458549
has db xref: PMID:15707677
has db xref: PMID:15894687
has db xref: PMID:15960296
has db xref: PMID:15961264
has db xref: PMID:16496293
has db xref: PMID:16950410
has db xref: PMID:17167832
has db xref: PMID:17206646
has db xref: PMID:17438652
has db xref: PMID:17498149
has db xref: PMID:17942810
has db xref: PMID:18077004
has db xref: PMID:18311975
has db xref: PMID:18380035
has db xref: PMID:18383130
has db xref: PMID:18651995
has db xref: PMID:18922921
has db xref: PMID:19100331
has db xref: PMID:19287496
has db xref: PMID:19389046
has db xref: PMID:19465085
has db xref: PMID:20338106
has db xref: PMID:20528766
has db xref: PMID:21636612
has db xref: PMID:21822688
has db xref: PMID:21945235
has db xref: PMID:22129149
has db xref: PMID:22218403
has db xref: PMID:22331007
has db xref: PMID:22377934
has db xref: PMID:22448647
has db xref: PMID:22459798
has db xref: PMID:22529223
has db xref: PMID:22573728
has db xref: PMID:22585541
has db xref: PMID:22589423
has db xref: PMID:22770225
has db xref: PMID:22792725
has db xref: PMID:22855884
has db xref: PMID:22930863
has db xref: PMID:22935730
has db xref: PMID:23108361
has db xref: PMID:23117126
has db xref: PMID:7097594
has db xref: PMID:7564279
has db xref: PMID:7566693

17-oxo steroid
type: Class
subclass of: oxo steroid
subclass of: cyclic ketone
has related synonym: 17-keto steroids
has related synonym: 17-ketosteroids
has related synonym: 17-oxo steroids
IAO_0000115: Any oxo steroid carrying the oxo group at position 17.
id: CHEBI:19168
has OBO namespace: chebi_ontology
in subset: 3 STAR

3',5'-cyclic purine nucleotide
type: Class
subclass of: nucleoside 3',5'-cyclic phosphate
subclass of: cyclic purine nucleotide
has related synonym: 3',5'-cyclic purine nucleotides
id: CHEBI:19834
has OBO namespace: chebi_ontology
in subset: 3 STAR

3-hydroxybutyric acid
type: Class
subclass of: hydroxybutyric acid
subclass of: 3-hydroxy monocarboxylic acid
subclass of: (omega-1)-hydroxy fatty acid
has related synonym: (1)-3-Hydroxybutyric acid
charge: 0
monoisotopicmass: 104.047
mass: 104.10452
has related synonym: 3 HBA
has related synonym: 3-Hydroxybuttersaeure
has related synonym: 3-OH-butyric acid
has exact synonym: 3-hydroxybutanoic acid
IAO_0000115: A straight-chain 3-hydroxy monocarboxylic acid comprising a butyric acid core with a single hydroxy substituent in the 3- position; a ketone body whose levels are raised during ketosis, used as an energy source by the brain during fasting in humans. Also used to synthesise biodegradable plastics.
has related synonym: BHBA
has db xref: Beilstein:773861
formula: C4H8O3
has db xref: CAS:300-85-6
smiles: CC(O)CC(O)=O
id: CHEBI:20067
has related synonym: DL-beta-Hydroxybutyric acid
has db xref: HMDB:HMDB0000357
inchi: InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)
has db xref: LIPID_MAPS_instance:LMFA01050005
has db xref: PMID:10855969
has db xref: PMID:17190852
has db xref: PMID:17579249
has db xref: PMID:6061736
has db xref: Reaxys:773861
inchikey: WHBMMWSBFZVSSR-UHFFFAOYSA-N
has db xref: Wikipedia:3-hydroxybutyrate
has related synonym: beta-Hydroxy-n-butyric acid
has related synonym: beta-Hydroxybuttersaeure
has related synonym: beta-hydroxy-n-butyric acid
has related synonym: beta-hydroxybutanoic acid
has related synonym: beta-hydroxybutyric acid
has OBO namespace: chebi_ontology
in subset: 3 STAR

vanillylmandelic acid
type: Class
subclass of: phenols
subclass of: aromatic ether
subclass of: 2-hydroxy monocarboxylic acid
charge: 0
monoisotopicmass: 198.053
mass: 198.17270
has exact synonym: 2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid
has related synonym: 3-methoxy-4-hydroxymandelic acid
IAO_0000115: An aromatic ether that is the 3-O-methyl ether of 3,4-dihydroxymandelic acid.
has db xref: Beilstein:2213227
formula: C9H10O5
has db xref: CAS:55-10-7
inchikey: CGQCWMIAEPEHNQ-UHFFFAOYSA-N
id: CHEBI:20106
smiles: COc1cc(ccc1O)C(O)C(O)=O
has db xref: HMDB:HMDB0000291
inchi: InChI=1S/C9H10O5/c1-14-7-4-5(2-3-6(7)10)8(11)9(12)13/h2-4,8,10-11H,1H3,(H,12,13)
has db xref: KEGG:C05584
has db xref: MetaCyc:VANILLYL_MANDELATE
has db xref: PMID:13756637
has db xref: PMID:23112240
has db xref: PMID:23399766
has db xref: PMID:23830883
has db xref: PMID:24327171
has db xref: Reaxys:2213227
has exact synonym: Vanillylmandelic acid
has related synonym: Vanilmandelic acid
has db xref: Wikipedia:Vanillylmandelic_acid
has OBO namespace: chebi_ontology
has related synonym: hydroxy(4-hydroxy-3-methoxyphenyl)acetic acid
in subset: 3 STAR

4-hydroxyproline
type: Class
subclass of: monohydroxyproline
charge: 0
monoisotopicmass: 131.058
mass: 131.12990
has exact synonym: 4-hydroxyproline
has related synonym: 4Hyp
IAO_0000115: A monohydroxyproline where the hydroxy group is located at the 4-position. It is found in fibrillar collagen.
formula: C5H9NO3
id: CHEBI:20392
inchi: InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)
smiles: OC1CNC(C1)C(O)=O
has db xref: PMID:21988268
has db xref: PMID:24563386
has db xref: PMID:24695516
has db xref: PMID:436278
inchikey: PMMYEEVYMWASQN-UHFFFAOYSA-N
has db xref: Wikipedia:Hydroxyproline
has OBO namespace: chebi_ontology
in subset: 3 STAR

5-methyltetrahydrofolate
type: Class
subclass of: methyltetrahydrofolate
has related synonym: 5-methyltetrahydrofolates
IAO_0000115: A group of heterocyclic compounds based on the 5-methyl-5,6,7,8-tetrahydropteroic acid skeleton conjugated with one or more L-glutamic acid or L-glutamate units.
id: CHEBI:20612
has OBO namespace: chebi_ontology
in subset: 3 STAR

5beta-cholane
type: Class
subclass of: cholane
charge: 0
monoisotopicmass: 330.329
mass: 330.59028
has exact synonym: 5beta-cholane
has db xref: Beilstein:2048472
formula: C24H42
id: CHEBI:20664
inchi: InChI=1S/C24H42/c1-5-8-17(2)20-12-13-21-19-11-10-18-9-6-7-15-23(18,3)22(19)14-16-24(20,21)4/h17-22H,5-16H2,1-4H3/t17-,18+,19+,20-,21+,22+,23+,24-/m1/s1
inchikey: QSHQKIURKJITMZ-OBUPQJQESA-N
has OBO namespace: chebi_ontology
in subset: 3 STAR

6-aminopurines
type: Class
subclass of: aminopurine
has exact synonym: 6-aminopurines
IAO_0000115: Any compound having 6-aminopurine (adenine) as part of its structure.
id: CHEBI:20706
has db xref: PMID:1646334
has db xref: PMID:18524423
has db xref: PMID:7342604
has OBO namespace: chebi_ontology
in subset: 3 STAR

vitamin C
type: Class
subclass of: water-soluble vitamin
subclass of: skin lightening agent
id: CHEBI:21241
has db xref: PMID:21885436
has exact synonym: Vitamin C
has OBO namespace: chebi_ontology
has related synonym: vitamina C
has related synonym: vitamine C
has related synonym: vitaminum C
in subset: 3 STAR

Mo-molybdopterin cofactor
type: Class
subclass of: molybdopterin cofactor
subclass of: molybdenum coordination entity
IAO_0000115: A molybdopterin cofactor in which the coordinated metal is a mononuclear molybdenum or molybdate species.
has db xref: CAS:73508-07-3
id: CHEBI:21437
has alternative id: CHEBI:60198
has db xref: DrugBank:DB02137
has db xref: KEGG:C18237
has related synonym: Mo-molybdopterin cofactors
has related synonym: Moco
has related synonym: Molybdenum cofactor
has OBO namespace: chebi_ontology
has exact synonym: molybdenum cofactor
in subset: 3 STAR

N-acetylneuraminates
type: Class
subclass of: N-acylneuraminates
id: CHEBI:21619
has related synonym: N-acetylneuraminate
has OBO namespace: chebi_ontology
in subset: 3 STAR

N-acetylneuraminic acids
type: Class
subclass of: N-acylneuraminic acid
id: CHEBI:21622
has OBO namespace: chebi_ontology
in subset: 3 STAR

N-acylglucosamine
type: Class
subclass of: N-acyl-hexosamine
subclass of: glucosamines
id: CHEBI:21638
has exact synonym: N-acylglucosamine
has related synonym: N-acylglucosamines
has OBO namespace: chebi_ontology
in subset: 3 STAR

N-acyl-L-amino acid
type: Class
subclass of: N-acyl-amino acid
IAO_0000115: Any N-acylamino acid having L-configuration.
id: CHEBI:21644
has OBO namespace: chebi_ontology
in subset: 3 STAR

N-acyl-hexosamine
type: Class
subclass of: hexosamine
id: CHEBI:21656
has exact synonym: N-acyl-hexosamine
has related synonym: N-acyl-hexosamines
has OBO namespace: chebi_ontology
in subset: 3 STAR

N-acylneuraminates
type: Class
subclass of: neuraminates
id: CHEBI:21663
has related synonym: N-acylneuraminate
has OBO namespace: chebi_ontology
in subset: 3 STAR

N-glycosyl compound
type: Class
subclass of: organonitrogen compound
subclass of: glycosyl compound
subclass of: carbohydrate derivative
IAO_0000115: A glycosyl compound arising formally from the elimination of water from a glycosidic hydroxy group and an H atom bound to a nitrogen atom, thus creating a C-N bond.
id: CHEBI:21731
has related synonym: N-glycoside
has related synonym: N-glycosides
has related synonym: N-glycosyl compounds
has OBO namespace: chebi_ontology
has exact synonym: glycosylamine
has related synonym: glycosylamines
in subset: 3 STAR

N-methyl-amino acid
type: Class
subclass of: amino acid derivative
IAO_0000115: An amino acid derivative in which at least one of the hydrogens of the amino group has been replaced by a methyl group.
id: CHEBI:21760
has related synonym: N-methyl-amino acids
has OBO namespace: chebi_ontology
in subset: 3 STAR

N-methylglycines
type: Class
subclass of: N-alkylglycine
IAO_0000115: An N-alkylglycine that is sarcosine and derivatives of sarcosine arising by replacement of the hydrogen attached to the nitrogen by a hydrocarbyl group.
id: CHEBI:21766
has OBO namespace: chebi_ontology
in subset: 3 STAR

L-fucopyranose
type: Class
subclass of: L-fucose
subclass of: fucopyranose
charge: 0
monoisotopicmass: 164.068
mass: 164.15650
has related synonym: 6-Deoxy-L-galactose
has exact synonym: 6-deoxy-L-galactopyranose
has db xref: Beilstein:1905878
formula: C6H12O5
has db xref: CAS:2438-80-4
id: CHEBI:2181
smiles: C[C@@H]1OC(O)[C@@H](O)[C@H](O)[C@@H]1O
has db xref: Gmelin:863814
inchi: InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6?/m0/s1
has db xref: KEGG:C01019
has related synonym: L-Fucose
has exact synonym: L-fucopyranose
has related synonym: L-fucose
has db xref: PMID:19913595
has db xref: PMID:25728407
has db xref: PMID:27145048
has db xref: PMID:27782805
has db xref: PMID:7688662
has db xref: Reaxys:1905878
inchikey: SHZGCJCMOBCMKK-DHVFOXMCSA-N
IAO_0000115: The pyranose form of L-fucose.
has OBO namespace: chebi_ontology
in subset: 3 STAR

acaricide
type: Class
subclass of: pesticide
IAO_0000115: A substance used to destroy pests of the subclass Acari (mites and ticks).
has related synonym: Akarizid
has related synonym: Akarizide
id: CHEBI:22153
has db xref: Wikipedia:Acaricide
has related synonym: acaricides
has OBO namespace: chebi_ontology
has related synonym: miticide
in subset: 3 STAR

acetamides
type: Class
subclass of: carboxamide
id: CHEBI:22160
IAO_0000115: Compounds with the general formula RNHC(=O)CH3.
has OBO namespace: chebi_ontology
in subset: 3 STAR

acyl group
type: Class
subclass of: organic group
IAO_0000115: An organic group formed by removing one or more hydroxy groups from an oxoacid that has the general structure RkE(=O)l(OH)m (l =/= 0). Although the term is almost always applied to organic compounds, with carboxylic acid as the oxoacid, acyl groups can in principle be derived from other types of acids such as sulfonic acids or phosphonic acids.
id: CHEBI:22221
has exact synonym: acyl group
has related synonym: acyl groups
has exact synonym: alkanoyl
has related synonym: alkanoyl group
has OBO namespace: chebi_ontology
has related synonym: groupe acyle
in subset: 3 STAR

adenosine phosphate
type: Class
subclass of: nucleoside phosphate
subclass of: adenyl ribonucleotide
id: CHEBI:22256
has related synonym: adenosine phosphates
has OBO namespace: chebi_ontology
in subset: 3 STAR

adenosines
type: Class
subclass of: purine ribonucleoside
id: CHEBI:22260
has OBO namespace: chebi_ontology
in subset: 3 STAR

aldonate
type: Class
subclass of: carbohydrate acid anion
subclass of: monocarboxylic acid anion
id: CHEBI:22299
has exact synonym: aldonate
has related synonym: aldonates
has OBO namespace: chebi_ontology
in subset: 3 STAR

aldonic acid
type: Class
subclass of: monocarboxylic acid
subclass of: carbohydrate acid
IAO_0000115: Any carbohydrate acid formed by oxidising the aldehyde functional group of an aldose to a carboxylic acid functional group. Aldonic acids have the general formula HOCH2[CH(OH)]nC(=O)OH.
id: CHEBI:22301
has exact synonym: aldonic acid
has related synonym: aldonic acids
has OBO namespace: chebi_ontology
in subset: 3 STAR

aldoxime
type: Class
subclass of: oxime
charge: 0
monoisotopicmass: 44.014
mass: 44.03270
formula: CH2NOR
id: CHEBI:22307
has db xref: KEGG:C02658
IAO_0000115: Oximes of aldehydes RCH=NOH.
smiles: [H]C([*])=NO
has exact synonym: aldoxime
has exact synonym: aldoximes
has related synonym: aldoximes
has OBO namespace: chebi_ontology
in subset: 3 STAR

alkaline earth metal atom
type: Class
subclass of: main group element atom
subclass of: metal atom
subclass of: s-block element atom
id: CHEBI:22313
has related synonym: Erdalkalimetall
has related synonym: Erdalkalimetalle
has related synonym: alkaline earth metal
has exact synonym: alkaline earth metals
has related synonym: alkaline-earth metal
has related synonym: alkaline-earth metals
has OBO namespace: chebi_ontology
has related synonym: metal alcalino-terreux
has related synonym: metal alcalinoterreo
has related synonym: metales alcalinoterreos
has related synonym: metaux alcalino-terreux
in subset: 3 STAR

alkali metal atom
type: Class
subclass of: main group element atom
subclass of: metal atom
subclass of: s-block element atom
has related synonym: Alkalimetall
has related synonym: Alkalimetalle
id: CHEBI:22314
has related synonym: alkali metal
has exact synonym: alkali metals
has OBO namespace: chebi_ontology
has related synonym: metal alcalin
has related synonym: metal alcalino
has related synonym: metales alcalinos
has related synonym: metaux alcalins
in subset: 3 STAR

alkaloid
type: Class
subclass of: organonitrogen compound
has exact synonym: Alkaloid
has related synonym: Alkaloide
IAO_0000115: Any of the naturally occurring, basic nitrogen compounds (mostly heterocyclic) occurring mostly in the plant kingdom, but also found in bacteria, fungi, and animals. By extension, certain neutral compounds biogenetically related to basic alkaloids are also classed as alkaloids. Amino acids, peptides, proteins, nucleotides, nucleic acids, amino sugars and antibiotics are not normally regarded as alkaloids. Compounds in which the nitrogen is exocyclic (dopamine, mescaline, serotonin, etc.) are usually classed as amines rather than alkaloids.
id: CHEBI:22315
has db xref: Wikipedia:Alkaloid
has related synonym: alcaloide
has related synonym: alcaloides
has exact synonym: alkaloids
has OBO namespace: chebi_ontology
in subset: 3 STAR

alkyl group
type: Class
subclass of: hydrocarbyl group
IAO_0000115: A univalent group -CnH2n+1 derived from an alkane by removal of a hydrogen atom from any carbon atom.
id: CHEBI:22323
has exact synonym: alkyl group
has exact synonym: alkyl groups
has OBO namespace: chebi_ontology
has related synonym: groupe alkyle
has related synonym: grupo alquilo
has related synonym: grupos alquilo
in subset: 3 STAR

aliphatic sulfide
type: Class
subclass of: organic sulfide
id: CHEBI:22327
has related synonym: aliphatic thioether
has related synonym: aliphatic thioethers
has OBO namespace: chebi_ontology
in subset: 3 STAR

alkylamines
type: Class
subclass of: amine
IAO_0000115: Any amine formally derived from ammonia by replacing one, two or three hydrogen atoms by alkyl groups.
id: CHEBI:22331
has OBO namespace: chebi_ontology
in subset: 3 STAR

alkylating agent
type: Class
subclass of: mutagen
id: CHEBI:22333
IAO_0000115: Highly reactive chemical that introduces alkyl radicals into biologically active molecules and thereby prevents their proper functioning. It could be used as an antineoplastic agent, but it might be very toxic, with carcinogenic, mutagenic, teratogenic, and immunosuppressant actions. It could also be used as a component of poison gases.
has OBO namespace: chebi_ontology
in subset: 3 STAR

amino alcohol
type: Class
subclass of: alcohol
subclass of: organic amino compound
IAO_0000115: An alcohol containing an amino functional group in addition to the alcohol-defining hydroxy group.
id: CHEBI:22478
has related synonym: amino alcohols
has related synonym: aminoalcohol
has related synonym: aminoalcohols
has OBO namespace: chebi_ontology
in subset: 3 STAR

aminobenzoate
type: Class
subclass of: benzoates
id: CHEBI:22494
has related synonym: aminobenzoates
has OBO namespace: chebi_ontology
in subset: 3 STAR

aminodiol
type: Class
subclass of: amino alcohol
subclass of: diol
IAO_0000115: An amino alcohol having two hydroxy functional groups.
id: CHEBI:22501
has related synonym: amino diol
has related synonym: amino diols
has related synonym: aminodiols
has OBO namespace: chebi_ontology
in subset: 3 STAR

aminoglycan
type: Class
subclass of: organonitrogen compound
subclass of: polysaccharide derivative
id: CHEBI:22506
has related synonym: aminoglycans
has OBO namespace: chebi_ontology
in subset: 3 STAR

aminopurine
type: Class
subclass of: purines
IAO_0000115: Any purine having at least one amino substituent.
id: CHEBI:22527
has related synonym: aminopurines
has OBO namespace: chebi_ontology
in subset: 3 STAR

anhydro sugar
type: Class
subclass of: monosaccharide
id: CHEBI:22558
IAO_0000115: Intramolecular ethers formally arising by elimination of water from two hydroxy groups of a single molecule of a monosaccharide (aldose or ketose) or monosaccharide derivative.
has exact synonym: anhydro sugar
has related synonym: anhydro sugars
has related synonym: anhydrosugars
has OBO namespace: chebi_ontology
has related synonym: sugar anhydride
has related synonym: sugar anhydrides
in subset: 3 STAR

anion
type: Class
subclass of: ion
IAO_0000115: A monoatomic or polyatomic species having one or more elementary charges of the electron.
has exact synonym: Anion
has related synonym: Anionen
id: CHEBI:22563
has exact synonym: anion
has related synonym: aniones
has related synonym: anions
has OBO namespace: chebi_ontology
in subset: 3 STAR

antioxidant
type: Class
subclass of: chemical role
IAO_0000115: A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
id: CHEBI:22586
has related synonym: antioxidants
has related synonym: antioxydant
has related synonym: antoxidant
has OBO namespace: chebi_ontology
in subset: 3 STAR

antiviral agent
type: Class
subclass of: antimicrobial agent
IAO_0000115: A substance that destroys or inhibits replication of viruses.
id: CHEBI:22587
has related synonym: anti-viral agent
has related synonym: anti-viral agents
has related synonym: antiviral
has related synonym: antiviral agents
has related synonym: antivirals
has OBO namespace: chebi_ontology
in subset: 3 STAR

ascorbate
type: Class
subclass of: ketoaldonate
IAO_0000115: A ketoaldonate that is the conjugate base of ascorbic acid.
id: CHEBI:22651
has OBO namespace: chebi_ontology
in subset: 3 STAR

ascorbic acid
type: Class
subclass of: ketoaldonic acid
id: CHEBI:22652
has OBO namespace: chebi_ontology
in subset: 3 STAR

asparagine
type: Class
subclass of: alpha-amino acid
subclass of: dicarboxylic acid monoamide
subclass of: Restriction
  on property: has part
  some values from: 2-amino-2-oxoethyl group
charge: 0
monoisotopicmass: 132.053
mass: 132.11800
has related synonym: 2,4-diamino-4-oxobutanoic acid
has related synonym: 2-amino-3-carbamoylpropanoic acid
has related synonym: ASN
IAO_0000115: An alpha-amino acid in which one of the hydrogens attached to the alpha-carbon of glycine is substituted by a 2-amino-2-oxoethyl group.
has related synonym: Asn
has related synonym: Asparagin
has db xref: Beilstein:1723525
formula: C4H8N2O3
has db xref: CAS:3130-87-8
id: CHEBI:22653
inchikey: DCXYFEDJOCDNAF-UHFFFAOYSA-N
has related synonym: DL-Asparagine
has db xref: Gmelin:279043
has related synonym: Hasp
inchi: InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)
has db xref: KEGG:C16438
has related synonym: N
smiles: NC(CC(N)=O)C(O)=O
has db xref: PMID:22264337
has db xref: PMID:22770225
has db xref: Reaxys:1723525
has db xref: Wikipedia:Asparagine
has related synonym: asparagina
has exact synonym: asparagine
has OBO namespace: chebi_ontology
in subset: 3 STAR

auxin
type: Class
subclass of: plant hormone
IAO_0000115: Any of a group of compounds, both naturally occurring and synthetic, that induce cell elongation in plant stems (from Greek alphaupsilonxialphanuomega, "to grow").
id: CHEBI:22676
has db xref: Wikipedia:Auxin
has related synonym: auxins
has OBO namespace: chebi_ontology
in subset: 3 STAR

base
type: Class
subclass of: chemical role
IAO_0000115: A molecular entity having an available pair of electrons capable of forming a covalent bond with a hydron (Bronsted base) or with the vacant orbital of some other molecular entity (Lewis base).
has exact synonym: Base
has related synonym: Base1
has related synonym: Base2
has related synonym: Basen
id: CHEBI:22695
has db xref: KEGG:C00701
has related synonym: Nucleobase
has exact synonym: base
has related synonym: bases
has OBO namespace: chebi_ontology
in subset: 3 STAR

benzaldehydes
type: Class
subclass of: arenecarbaldehyde
IAO_0000115: Any arenecarbaldehyde that consists of a formyl substituted benzene ring and its substituted derivatives thereof.
id: CHEBI:22698
has OBO namespace: chebi_ontology
in subset: 3 STAR

benzenes
type: Class
subclass of: benzenoid aromatic compound
IAO_0000115: Any benzenoid aromatic compound consisting of the benzene skeleton and its substituted derivatives.
id: CHEBI:22712
has OBO namespace: chebi_ontology
in subset: 3 STAR

benzoates
type: Class
subclass of: monocarboxylic acid anion
IAO_0000115: A monocarboxylic acid anion obtained by deprotonation of the carboxy group of any benzoic acid.
id: CHEBI:22718
has related synonym: benzoate anion
has OBO namespace: chebi_ontology
in subset: 3 STAR

benzopyran
type: Class
subclass of: oxacycle
subclass of: organic heteropolycyclic compound
id: CHEBI:22727
has db xref: Wikipedia:Benzopyran
has related synonym: benzopyrans
has OBO namespace: chebi_ontology
in subset: 3 STAR

benzopyrrole
type: Class
subclass of: organic heterobicyclic compound
subclass of: organonitrogen heterocyclic compound
subclass of: polycyclic heteroarene
id: CHEBI:22728
has related synonym: benzopyrroles
has OBO namespace: chebi_ontology
in subset: 3 STAR

benzyl group
type: Class
subclass of: benzylic group
subclass of: proteinogenic amino-acid side-chain group
charge: 0
monoisotopicmass: 91.055
mass: 91.13048
has related synonym: Bn
has related synonym: C6H5-CH2-
formula: C7H7
id: CHEBI:22744
has exact synonym: benzyl
has OBO namespace: chebi_ontology
has related synonym: phenylalanine side-chain
has related synonym: phenylmethyl
in subset: 3 STAR

amino-acid betaine
type: Class
subclass of: ammonium betaine
subclass of: amino acid derivative
IAO_0000115: Any amino acid-derived zwitterion - such as glycine betaine (N,N,N-trimethylammonioacetate) - in which the ammonium nitrogen carries three methyl substituents.
id: CHEBI:22860
has related synonym: amino acid betaines
has related synonym: amino-acid betaines
has related synonym: betaines
has OBO namespace: chebi_ontology
in subset: 3 STAR

bile salt
type: Class
subclass of: cholanoid
subclass of: organic sodium salt
IAO_0000115: A sodium salt of the conjugate of any bile acid with either glycine or taurine.
has related synonym: Bile acid
id: CHEBI:22868
has db xref: KEGG:C01558
has related synonym: bile salts
has OBO namespace: chebi_ontology
in subset: 3 STAR

biopterins
type: Class
subclass of: pterins
id: CHEBI:22881
has db xref: MetaCyc:All-Biopterines
has OBO namespace: chebi_ontology
in subset: 3 STAR

bisphenol
type: Class
subclass of: phenols
IAO_0000115: By usage, the methylenediphenols, HOC6H4CH2C6H4OH, commonly p,p-methylenediphenol, and their substitution products (generally derived from condensation of two equivalent amounts of a phenol with an aldehyde or ketone). The term also includes analogues in the the methylene (or substituted methylene) group has been replaced by a heteroatom.
id: CHEBI:22901
has db xref: Wikipedia:Bisphenol
has related synonym: bisphenols
has OBO namespace: chebi_ontology
in subset: 3 STAR

phytogenic insecticide
type: Class
subclass of: insecticide
IAO_0000115: An insecticide compound naturally occurring in plants.
id: CHEBI:22917
has related synonym: botanical insecticide
has related synonym: botanical insecticides
has OBO namespace: chebi_ontology
has related synonym: phytogenic insecticides
in subset: 3 STAR

branched-chain amino acid
type: Class
subclass of: amino acid
IAO_0000115: Any amino acid in which the parent hydrocarbon chain has one or more alkyl substituents
id: CHEBI:22918
has related synonym: branched chain amino acids
has OBO namespace: chebi_ontology
in subset: 3 STAR

bromine atom
type: Class
subclass of: halogen
charge: 0
has related synonym: 35Br
monoisotopicmass: 78.918
mass: 79.90400
has related synonym: Br
formula: Br
has related synonym: Brom
id: CHEBI:22927
inchi: InChI=1S/Br
inchikey: WKBOTKDWSSQWDR-UHFFFAOYSA-N
has db xref: WebElements:Br
smiles: [Br]
has related synonym: brome
has related synonym: bromine
has exact synonym: bromine
has related synonym: bromo
has related synonym: bromum
has OBO namespace: chebi_ontology
in subset: 3 STAR

bromine molecular entity
type: Class
subclass of: halogen molecular entity
subclass of: Restriction
  on property: has part
  some values from: bromine atom
id: CHEBI:22928
has related synonym: bromine compounds
has related synonym: bromine molecular entities
has exact synonym: bromine molecular entity
has OBO namespace: chebi_ontology
in subset: 3 STAR

butanone
type: Class
subclass of: ketone
IAO_0000115: Any ketone that is butane substituted by an oxo group at unspecified position.
id: CHEBI:22951
has related synonym: butanones
has OBO namespace: chebi_ontology
in subset: 3 STAR

cadmium atom
type: Class
subclass of: zinc group element atom
charge: 0
mass: 112.41100
monoisotopicmass: 113.903
has related synonym: 48Cd
inchikey: BDOSMKKIYDKNTQ-UHFFFAOYSA-N
has db xref: CAS:7440-43-9
id: CHEBI:22977
formula: Cd
has related synonym: Cd
inchi: InChI=1S/Cd
has db xref: KEGG:C01413
has related synonym: Kadmium
has db xref: WebElements:Cd
smiles: [Cd]
has related synonym: cadmio
has exact synonym: cadmium
has related synonym: cadmium
has OBO namespace: chebi_ontology
in subset: 3 STAR

calcium atom
type: Class
subclass of: alkaline earth metal atom
charge: 0
has related synonym: 20Ca
monoisotopicmass: 39.963
mass: 40.07800
has db xref: CAS:7440-70-2
id: CHEBI:22984
has related synonym: Ca
formula: Ca
has related synonym: Calcium
has db xref: DrugBank:DB01373
inchi: InChI=1S/Ca
has db xref: KEGG:C00076
has related synonym: Kalzium
inchikey: OYPRJOBELJOOCE-UHFFFAOYSA-N
has db xref: WebElements:Ca
smiles: [Ca]
has related synonym: calcio
has exact synonym: calcium
has related synonym: calcium
has OBO namespace: chebi_ontology
in subset: 3 STAR

calcium molecular entity
type: Class
subclass of: alkaline earth molecular entity
subclass of: Restriction
  on property: has part
  some values from: calcium atom
id: CHEBI:22985
has related synonym: calcium compounds
has related synonym: calcium molecular entities
has exact synonym: calcium molecular entity
has OBO namespace: chebi_ontology
in subset: 3 STAR

carbamate ester
type: Class
subclass of: carboxylic ester
IAO_0000115: Any ester of carbamic acid or its N-substituted derivatives.
id: CHEBI:23003
has db xref: Wikipedia:Carbamate
has related synonym: carbamate esters
has related synonym: carbamates
has OBO namespace: chebi_ontology
in subset: 3 STAR

carbamoyl group
type: Class
subclass of: univalent carboacyl group
has related synonym: -C(O)NH2
has related synonym: -CONH2
charge: 0
monoisotopicmass: 44.014
mass: 44.03272
formula: CH2NO
id: CHEBI:23004
has db xref: PMID:24168430
IAO_0000115: The univalent carboacyl group formed by loss of -OH from the carboxy group of carbamic acid.
has related synonym: aminocarbonyl
has exact synonym: carbamoyl
has related synonym: carbamyl
has related synonym: carbamyl group
has related synonym: carboxamide
has OBO namespace: chebi_ontology
in subset: 3 STAR

carbon oxide
type: Class
subclass of: organic oxide
subclass of: organooxygen compound
id: CHEBI:23014
has related synonym: carbon oxides
has OBO namespace: chebi_ontology
has related synonym: oxides of carbon
in subset: 3 STAR

carbonates
type: Class
subclass of: organooxygen compound
id: CHEBI:23016
IAO_0000115: Organooxygen compounds that are salts or esters of carbonic acid, H2CO3.
has OBO namespace: chebi_ontology
in subset: 3 STAR

carbonyl group
type: Class
subclass of: organodiyl group
charge: 0
monoisotopicmass: 27.995
mass: 28.01010
has related synonym: >C=O
id: CHEBI:23019
formula: CO
has exact synonym: carbonyl
has exact synonym: carbonyl group
has OBO namespace: chebi_ontology
in subset: 3 STAR

carotene
type: Class
subclass of: tetraterpene
id: CHEBI:23042
IAO_0000115: Hydrocarbon carotenoids.
has exact synonym: carotene
has related synonym: carotenes
has exact synonym: carotenes
has OBO namespace: chebi_ontology
in subset: 3 STAR

carotenoid
type: Class
subclass of: tetraterpenoid
has db xref: CAS:36-88-4
id: CHEBI:23044
IAO_0000115: One of a class of tetraterpenoids (C40), formally derived from the acyclic parent, psi,psi-carotene by hydrogenation, dehydrogenation, cyclization, oxidation, or combination of these processes. This class includes carotenes, xanthophylls and certain compounds that arise from rearrangement of the skeleton of psi,psi-carotene or by loss of part of this structure. Retinoids are excluded.
has related synonym: a carotenoid
has related synonym: carotenes and carotenoids
has exact synonym: carotenoid
has related synonym: carotenoids
has OBO namespace: chebi_ontology
in subset: 3 STAR

carotenol
type: Class
subclass of: xanthophyll
id: CHEBI:23045
has related synonym: carotenols
has OBO namespace: chebi_ontology
has related synonym: hydroxycarotenoids
in subset: 3 STAR

cerebroside
type: Class
subclass of: ceramide
subclass of: neutral glycosphingolipid
IAO_0000115: Any member of a group of glycosphingolipids, also known as monoglycosylceramides, which are important components in animal muscle and nerve cell membranes.
id: CHEBI:23079
has related synonym: cerebrosides
has OBO namespace: chebi_ontology
has related synonym: monoglycosylceramide
has related synonym: monoglycosylceramides
in subset: 3 STAR

chloride salt
type: Class
subclass of: chlorine molecular entity
subclass of: halide salt
subclass of: Restriction
  on property: has part
  some values from: chloride
id: CHEBI:23114
has OBO namespace: chebi_ontology
has related synonym: chloride salts
has related synonym: chlorides
in subset: 3 STAR

chlorine atom
type: Class
subclass of: halogen
charge: 0
has related synonym: 17Cl
monoisotopicmass: 34.969
mass: 35.45270
id: CHEBI:23116
has related synonym: Chlor
has related synonym: Cl
formula: Cl
inchi: InChI=1S/Cl
has db xref: WebElements:Cl
inchikey: ZAMOUSCENKQFHK-UHFFFAOYSA-N
smiles: [Cl]
has OBO namespace: chebi_ontology
has related synonym: chlore
has related synonym: chlorine
has exact synonym: chlorine
has related synonym: chlorum
has related synonym: cloro
in subset: 3 STAR

chlorine molecular entity
type: Class
subclass of: halogen molecular entity
subclass of: Restriction
  on property: has part
  some values from: chlorine atom
IAO_0000115: A halogen molecular entity containing one or more atoms of chlorine.
id: CHEBI:23117
has OBO namespace: chebi_ontology
in subset: 3 STAR

choline ester
type: Class
subclass of: ester
id: CHEBI:23213
has alternative id: CHEBI:3666
has OBO namespace: chebi_ontology
has related synonym: choline esters
in subset: 3 STAR

cholines
type: Class
subclass of: quaternary ammonium ion
IAO_0000115: A quaternary ammonium ion based on the choline ion and its substituted derivatives thereof.
id: CHEBI:23217
has OBO namespace: chebi_ontology
in subset: 3 STAR

chromanol
type: Class
subclass of: chromanes
subclass of: organic hydroxy compound
IAO_0000115: Any member of the class of chromanes that is chromane substituted by one or more hydroxy groups.
id: CHEBI:23229
has OBO namespace: chebi_ontology
in subset: 3 STAR

chromanes
type: Class
subclass of: 1-benzopyran
id: CHEBI:23230
has OBO namespace: chebi_ontology
in subset: 3 STAR

chromophore
type: Class
subclass of: photochemical role
id: CHEBI:23240
IAO_0000115: The part (atom or group of atoms) of a molecular entity in which the electronic transition responsible for a given spectral band is approximately localized.
has db xref: Wikipedia:Chromophore
has OBO namespace: chebi_ontology
has exact synonym: chromophore
has related synonym: chromophores
in subset: 3 STAR

citrullines
type: Class
subclass of: non-proteinogenic alpha-amino acid
id: CHEBI:23324
has OBO namespace: chebi_ontology
in subset: 1 STAR

cob(III)alamins
type: Class
subclass of: cobalamins
id: CHEBI:23333
has OBO namespace: chebi_ontology
in subset: 1 STAR

cobalamins
type: Class
subclass of: cobamides
id: CHEBI:23334
has OBO namespace: chebi_ontology
in subset: 1 STAR

cobamides
type: Class
subclass of: cobalt-corrinoid hexaamide
id: CHEBI:23341
has OBO namespace: chebi_ontology
in subset: 1 STAR

coenzyme
type: Class
subclass of: cofactor
IAO_0000115: A low-molecular-weight, non-protein organic compound participating in enzymatic reactions as dissociable acceptor or donor of chemical groups or electrons.
id: CHEBI:23354
has OBO namespace: chebi_ontology
has exact synonym: coenzyme
has related synonym: coenzymes
in subset: 3 STAR

cofactor
type: Class
subclass of: biochemical role
IAO_0000115: An organic molecule or ion (usually a metal ion) that is required by an enzyme for its activity. It may be attached either loosely (coenzyme) or tightly (prosthetic group).
id: CHEBI:23357
has db xref: Wikipedia:Cofactor_(biochemistry)
has OBO namespace: chebi_ontology
has exact synonym: cofactor
has exact synonym: cofactors
in subset: 3 STAR

colchicine
type: Class
subclass of: acetamides
subclass of: alkaloid
subclass of: aromatic ether
subclass of: carbotricyclic compound
charge: 0
monoisotopicmass: 399.168
mass: 399.43704
IAO_0000115: An alkaloid that is a carbotricyclic compound comprising 5,6,7,9-tetrahydrobenzo[a]heptalene having four methoxy substituents at the 1-, 2-, 3- and 10-positions as well as an oxo group at the 9-position and an acetamido group at the 7-position. It has been isolated from the plants belonging to genus Colchicum.
has db xref: Beilstein:2228812
formula: C22H25NO6
has db xref: CAS:54192-66-4
id: CHEBI:23359
smiles: COc1cc2CCC(NC(C)=O)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC
has db xref: DrugBank:DB01394
has db xref: HMDB:HMDB0015466
inchikey: IAKHMKGGTNLKSZ-UHFFFAOYSA-N
inchi: InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)
has db xref: LINCS:LSM-6449
has exact synonym: N-(1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide
has db xref: PMID:10680067
has db xref: PMID:24074178
has db xref: PMID:7200520
has db xref: PMID:9819133
has db xref: Reaxys:2228812
has OBO namespace: chebi_ontology
in subset: 3 STAR

compatible osmolytes
type: Class
subclass of: osmolyte
id: CHEBI:23366
has OBO namespace: chebi_ontology
in subset: 1 STAR

molecular entity
type: Class
subclass of: chemical entity
IAO_0000115: Any constitutionally or isotopically distinct atom, molecule, ion, ion pair, radical, radical ion, complex, conformer etc., identifiable as a separately distinguishable entity.
id: CHEBI:23367
has OBO namespace: chebi_ontology
has related synonym: entidad molecular
has related synonym: entidades moleculares
has related synonym: entite moleculaire
has related synonym: molecular entities
has exact synonym: molecular entity
has related synonym: molekulare Entitaet
in subset: 3 STAR

copper molecular entity
type: Class
subclass of: copper group molecular entity
subclass of: Restriction
  on property: has part
  some values from: copper atom
id: CHEBI:23377
has OBO namespace: chebi_ontology
has related synonym: copper compounds
has related synonym: copper molecular entities
has exact synonym: copper molecular entity
in subset: 3 STAR

cobalt-corrinoid hexaamide
type: Class
subclass of: cobalt corrinoid
id: CHEBI:23390
has OBO namespace: chebi_ontology
in subset: 1 STAR

pseudohalogen oxoacid
type: Class
subclass of: oxoacid
id: CHEBI:23423
has OBO namespace: chebi_ontology
in subset: 1 STAR

cyclic amide
type: Class
subclass of: amide
id: CHEBI:23443
has alternative id: CHEBI:3990
has OBO namespace: chebi_ontology
has exact synonym: cyclic amide
has related synonym: cyclic amides
in subset: 3 STAR

cyclic nucleotide
type: Class
subclass of: nucleotide
id: CHEBI:23447
has OBO namespace: chebi_ontology
has related synonym: cyclic nucleotides
in subset: 3 STAR

cyclic peptide
type: Class
subclass of: peptide
id: CHEBI:23449
has related synonym: Cyclopeptid
has related synonym: Zyklopeptid
has OBO namespace: chebi_ontology
has related synonym: cyclic peptides
has related synonym: peptide cyclique
has related synonym: peptido ciclico
in subset: 3 STAR

cyclohexanols
type: Class
subclass of: alcohol
IAO_0000115: An alcohol in which one or more hydroxy groups are attached to a cyclohexane skeleton.
id: CHEBI:23480
has OBO namespace: chebi_ontology
in subset: 3 STAR

cyclopentanes
type: Class
subclass of: carbocyclic compound
id: CHEBI:23493
IAO_0000115: Cyclopentane and its derivatives formed by substitution.
has OBO namespace: chebi_ontology
in subset: 3 STAR

cyclopentanols
type: Class
subclass of: cyclopentanes
subclass of: alcohol
IAO_0000115: An alcohol in which one or more hydroxy groups are attached to a cyclopentane skeleton.
id: CHEBI:23495
has OBO namespace: chebi_ontology
in subset: 3 STAR

cystathionines
type: Class
subclass of: homocysteines
id: CHEBI:23505
has OBO namespace: chebi_ontology
in subset: 1 STAR

cysteine derivative
type: Class
subclass of: amino acid derivative
IAO_0000115: An amino acid derivative resulting from reaction of cysteine at the amino group, carboxy group, or thiol group, or from the replacement of any hydrogen of cysteine by a heteroatom. The definition normally excludes peptides containing cysteine residues.
id: CHEBI:23509
has OBO namespace: chebi_ontology
has exact synonym: cysteine derivative
in subset: 3 STAR

deoxygalactose
type: Class
subclass of: deoxyhexose
id: CHEBI:23622
has OBO namespace: chebi_ontology
has exact synonym: deoxygalactose
has related synonym: deoxygalactoses
in subset: 3 STAR

deoxyhexose
type: Class
subclass of: deoxy sugar
subclass of: aldohexose
IAO_0000115: Any C6 deoxy sugar having at least one hydroxy group replaced by hydrogen.
id: CHEBI:23628
has OBO namespace: chebi_ontology
has exact synonym: deoxyhexose
has related synonym: deoxyhexoses
in subset: 3 STAR

deoxy sugar
type: Class
subclass of: carbohydrate
IAO_0000115: Any sugar having a hydroxy group replaced with a hydrogen atom.
id: CHEBI:23639
has OBO namespace: chebi_ontology
has related synonym: deoxy sugars
has related synonym: deoxysugar
has related synonym: deoxysugars
in subset: 3 STAR

diazole
type: Class
subclass of: azole
IAO_0000115: An azole that is either one of a pair of heterocyclic organic compounds comprising three carbon atoms and two nitrogen atoms arranged in a ring.
id: CHEBI:23677
has OBO namespace: chebi_ontology
has related synonym: diazoles
in subset: 3 STAR

dicarboxylic acid amide
type: Class
subclass of: carboxamide
id: CHEBI:23690
has OBO namespace: chebi_ontology
has related synonym: dicarboxylic acid amides
in subset: 3 STAR

({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(9H-purin-9-yl)oxolan-2-yl]methyl phosphonato}oxy)(phosphonatooxy)phosphinate
type: Class
subclass of: purine ribonucleoside 5'-triphosphate
subclass of: adenosine 5'-phosphate
id: CHEBI:237958
has OBO namespace: chebi_ontology
in subset: 2 STAR

diol
type: Class
subclass of: polyol
IAO_0000115: A compound that contains two hydroxy groups, generally assumed to be, but not necessarily, alcoholic. Aliphatic diols are also called glycols.
id: CHEBI:23824
has db xref: Wikipedia:Diol
has OBO namespace: chebi_ontology
has exact synonym: diols
in subset: 3 STAR

diterpenoid
type: Class
subclass of: terpenoid
IAO_0000115: Any terpenoid derived from a diterpene. The term includes compounds in which the C20 skeleton of the parent diterpene has been rearranged or modified by the removal of one or more skeletal atoms (generally methyl groups).
has related synonym: C20 isoprenoids
id: CHEBI:23849
has db xref: LIPID_MAPS_class:LMPR0104
has OBO namespace: chebi_ontology
has related synonym: diterpenoides
has exact synonym: diterpenoids
in subset: 3 STAR

drug
type: Class
subclass of: pharmaceutical
IAO_0000115: Any substance which when absorbed into a living organism may modify one or more of its functions. The term is generally accepted for a substance taken for a therapeutic purpose, but is also commonly used for abused substances.
id: CHEBI:23888
has OBO namespace: chebi_ontology
has related synonym: drugs
has related synonym: medicine
in subset: 3 STAR

icosanoid
type: Class
subclass of: fatty acid derivative
IAO_0000115: Any member of the group of signalling molecules arising from oxidation of the three C20 essential fatty acids (EFAs) icosapentaenoic acid (EPA), arachidonic acid (AA) and dihomo-gamma-linolenic acid (DGLA).
id: CHEBI:23899
has db xref: LIPID_MAPS_class:LMFA03
has db xref: PMID:12697726
has db xref: PMID:16107763
has db xref: PMID:19160658
has db xref: PMID:2657063
has db xref: Wikipedia:Eicosanoid
has OBO namespace: chebi_ontology
has related synonym: eicosanoid
has related synonym: eicosanoids
has exact synonym: icosanoid
has related synonym: icosanoids
in subset: 3 STAR

monoatomic anion
type: Class
subclass of: anion
subclass of: monoatomic ion
id: CHEBI:23905
has OBO namespace: chebi_ontology
has related synonym: monoatomic anions
in subset: 3 STAR

monoatomic cation
type: Class
subclass of: monoatomic ion
subclass of: cation
id: CHEBI:23906
has OBO namespace: chebi_ontology
has related synonym: monoatomic cations
in subset: 3 STAR

enzyme inhibitor
type: Class
subclass of: inhibitor
subclass of: biochemical role
IAO_0000115: A compound or agent that combines with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.
id: CHEBI:23924
has OBO namespace: chebi_ontology
has exact synonym: enzyme inhibitor
has related synonym: enzyme inhibitors
has related synonym: inhibidor enzimatico
has related synonym: inhibidores enzimaticos
has related synonym: inhibiteur enzymatique
has related synonym: inhibiteurs enzymatiques
in subset: 3 STAR

estradiol
type: Class
subclass of: 3-hydroxy steroid
subclass of: 17-hydroxy steroid
charge: 0
monoisotopicmass: 272.178
mass: 272.38196
IAO_0000115: A 3-hydroxy steroid that is estra-1,3,5(10)-triene substituted by hydroxy groups at positions 3 and 17.
formula: C18H24O2
id: CHEBI:23965
has alternative id: CHEBI:42364
inchi: InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17?,18+/m1/s1
has db xref: PMID:10696569
has db xref: PMID:24084694
inchikey: VOXZDWNPVJITMN-WKUFJEKOSA-N
has db xref: Wikipedia:Estradiol
has OBO namespace: chebi_ontology
has exact synonym: estra-1,3,5(10)-triene-3,17-diol
has related synonym: oestradiol
in subset: 3 STAR

estrane
type: Class
subclass of: steroid fundamental parent
charge: 0
monoisotopicmass: 246.235
mass: 246.43080
has db xref: Beilstein:3125721
formula: C18H30
id: CHEBI:23966
inchikey: GRXPVLPQNMUNNX-MHJRRCNVSA-N
inchi: InChI=1S/C18H30/c1-18-11-4-7-17(18)16-9-8-13-5-2-3-6-14(13)15(16)10-12-18/h13-17H,2-12H2,1H3/t13?,14-,15+,16+,17-,18-/m0/s1
has db xref: LIPID_MAPS_instance:LMST02010000
has related synonym: Oestran
has OBO namespace: chebi_ontology
has exact synonym: estrane
has related synonym: oestrane
in subset: 3 STAR

ethanolamines
type: Class
subclass of: amino alcohol
id: CHEBI:23981
has OBO namespace: chebi_ontology
has related synonym: ethanolamine
in subset: 3 STAR

ethanols
type: Class
subclass of: primary alcohol
IAO_0000115: Any primary alcohol based on an ethanol skeleton.
id: CHEBI:23982
has OBO namespace: chebi_ontology
in subset: 3 STAR

ethyl methanesulfonate
type: Class
subclass of: methanesulfonate ester
charge: 0
monoisotopicmass: 124.019
mass: 124.15900
IAO_0000115: A methanesulfonate ester resulting from the formal condensation of methanesulfonic acid with ethanol.
formula: C3H8O3S
has db xref: CAS:62-50-0
smiles: CCOS(C)(=O)=O
id: CHEBI:23994
has related synonym: EMS
inchi: InChI=1S/C3H8O3S/c1-3-6-7(2,4)5/h3H2,1-2H3
has db xref: KEGG:C19239
inchikey: PLUBXMRUUVWRLT-UHFFFAOYSA-N
has db xref: PMID:16039156
has db xref: PMID:19797863
has db xref: PMID:20102787
has db xref: PMID:24475756
has db xref: PMID:24524729
has db xref: PMID:24531730
has db xref: PMID:24728647
has db xref: PMID:6936603
has db xref: PMID:7285888
has db xref: Reaxys:773969
has db xref: Wikipedia:Ethyl_methanesulfonate
has OBO namespace: chebi_ontology
has related synonym: ethyl mesylate
has related synonym: ethyl methanesulphonate
has related synonym: methylsulfonic acid ethyl ester
has related synonym: methylsulfonic acid, ethyl ester
in subset: 3 STAR

fat-soluble vitamin
type: Class
subclass of: vitamin
id: CHEBI:24020
IAO_0000115: Vitamins like A, D, E and K that dissolve in fats and are stored in body tissues. Unlike the water-soluble vitamins, these are stored in the body for long periods of time and generally pose a greater risk for toxicity when consumed in excess.
has OBO namespace: chebi_ontology
has related synonym: fat-soluble vitamins
has related synonym: fettloesliche Vitamine
in subset: 3 STAR

fatty alcohol
type: Class
subclass of: lipid
subclass of: alcohol
IAO_0000115: An aliphatic alcohol consisting of a chain of 8 to 22 carbon atoms. Fatty alcohols may be saturated or unsaturated and may be branched or unbranched.
id: CHEBI:24026
has related synonym: Fettalkohol
has related synonym: Fettalkohole
has db xref: LIPID_MAPS_class:LMFA05
has related synonym: alcool gras
has OBO namespace: chebi_ontology
has exact synonym: fatty alcohol
has related synonym: fatty alcohols
in subset: 3 STAR

fluorine atom
type: Class
subclass of: halogen
charge: 0
monoisotopicmass: 18.998
mass: 18.99840
has related synonym: 9F
has db xref: CAS:7782-41-4
id: CHEBI:24061
has related synonym: F
formula: F
has related synonym: Fluor
inchi: InChI=1S/F
has db xref: WebElements:F
inchikey: YCKRFDGAMUMZLT-UHFFFAOYSA-N
smiles: [F]
has OBO namespace: chebi_ontology
has related synonym: fluor
has related synonym: fluorine
has exact synonym: fluorine
has related synonym: fluorum
in subset: 3 STAR

fluorine molecular entity
type: Class
subclass of: halogen molecular entity
subclass of: Restriction
  on property: has part
  some values from: fluorine atom
id: CHEBI:24062
has OBO namespace: chebi_ontology
has related synonym: fluorine compounds
has related synonym: fluorine molecular entities
has exact synonym: fluorine molecular entity
in subset: 3 STAR

fluoroalkane
type: Class
subclass of: haloalkane
subclass of: organofluorine compound
IAO_0000115: A haloalkane that is an alkane in which at least one hydrogen atom has been replaced by a fluorine atom.
id: CHEBI:24067
has OBO namespace: chebi_ontology
has exact synonym: fluoroalkane
has related synonym: fluoroalkanes
in subset: 3 STAR

fructosamine
type: Class
subclass of: hexosamine
id: CHEBI:24103
has OBO namespace: chebi_ontology
has exact synonym: fructosamine
has related synonym: fructosamines
in subset: 3 STAR

galactonate
type: Class
subclass of: galactonates
formula: C6H11O7
id: CHEBI:24148
has OBO namespace: chebi_ontology
in subset: 3 STAR

galactonic acid
type: Class
subclass of: hexonic acid
IAO_0000115: A hexonic acid that has been found to increase in red blood cells of galactosemic patients.
formula: C6H12O7
id: CHEBI:24149
has db xref: PMID:14680973
has OBO namespace: chebi_ontology
in subset: 3 STAR

galactoside
type: Class
subclass of: hexoside
id: CHEBI:24163
has OBO namespace: chebi_ontology
has exact synonym: galactoside
has related synonym: galactosides
in subset: 3 STAR

glucocorticoid
type: Class
subclass of: corticosteroid hormone
id: CHEBI:24261
IAO_0000115: Glucocorticoids are a class of steroid hormones that regulate a variety of physiological processes, in particular control of the concentration of glucose in blood.
has OBO namespace: chebi_ontology
has related synonym: glucocorticoids
in subset: 3 STAR

glucosamines
type: Class
subclass of: hexosamine
IAO_0000115: Any hexosamine that is glucose in which at least one of the hydroxy groups has been replaced by an amino group.
id: CHEBI:24271
has OBO namespace: chebi_ontology
in subset: 3 STAR

glutamic acid derivative
type: Class
subclass of: amino acid derivative
IAO_0000115: An amino acid derivative resulting from reaction of glutamic acid at the amino group or either of the carboxy groups, or from the replacement of any hydrogen by a heteroatom. The definition normally excludes peptides containing glutamic acid residues.
id: CHEBI:24315
has OBO namespace: chebi_ontology
in subset: 3 STAR

glutamine family amino acid
type: Class
subclass of: L-alpha-amino acid
subclass of: proteinogenic amino acid
IAO_0000115: An L-alpha-amino acid which is L-glutamic acid or any of the essential amino acids biosynthesised from it (glutamine, proline and arginine). A closed class.
id: CHEBI:24318
has db xref: PMID:20716061
has OBO namespace: chebi_ontology
has related synonym: glutamine family amino acids
in subset: 3 STAR

EC 6.3.1.2 (glutamate--ammonia ligase) inhibitor
type: Class
subclass of: EC 6.3.1.* (acid-ammonia/amine ligase) inhibitor
IAO_0000115: An EC 6.3.* (C-N bond-forming ligase) inhibitor that interferes with the action of glutamate--ammonia ligase (EC 6.3.1.2).
id: CHEBI:24319
has related synonym: EC 6.3.1.2 (glutamate--ammonia ligase) inhibitors
has related synonym: EC 6.3.1.2 inhibitor
has related synonym: EC 6.3.1.2 inhibitors
has related synonym: L-glutamate:ammonia ligase (ADP-forming) inhibitor
has related synonym: L-glutamate:ammonia ligase (ADP-forming) inhibitors
has related synonym: L-glutamine synthetase inhibitor
has related synonym: L-glutamine synthetase inhibitors
has db xref: Wikipedia:Glutamine_synthetase
has OBO namespace: chebi_ontology
has related synonym: glutamate--ammonia ligase (EC 6.3.1.2) inhibitor
has related synonym: glutamate--ammonia ligase (EC 6.3.1.2) inhibitors
has related synonym: glutamate--ammonia ligase inhibitor
has related synonym: glutamate--ammonia ligase inhibitors
has related synonym: glutamine synthetase inhibitor
has related synonym: glutamine synthetase inhibitors
has related synonym: glutamylhydroxamic synthetase inhibitor
has related synonym: glutamylhydroxamic synthetase inhibitors
in subset: 3 STAR

glutarate
type: Class
subclass of: dicarboxylic acid anion
IAO_0000115: A dicarboxylic acid anion obtained by deprotonation of at least one of the carboxy groups of glutaric acid.
id: CHEBI:24329
has OBO namespace: chebi_ontology
has related synonym: glutarate anion
has related synonym: glutarates
has related synonym: glutaric acid anion
in subset: 3 STAR

glycerol ether
type: Class
subclass of: ether
IAO_0000115: Any ether having glyceryl as at least one of the O-substituents.
id: CHEBI:24353
has OBO namespace: chebi_ontology
in subset: 3 STAR

glycine derivative
type: Class
subclass of: proteinogenic amino acid derivative
IAO_0000115: A proteinogenic amino acid derivative resulting from reaction of glycine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
id: CHEBI:24373
has OBO namespace: chebi_ontology
in subset: 3 STAR

glycogens
type: Class
subclass of: glucan
id: CHEBI:24384
has OBO namespace: chebi_ontology
in subset: 3 STAR

glycopeptide
type: Class
subclass of: peptide
subclass of: carbohydrate derivative
IAO_0000115: Any carbohydrate derivative that consists of glycan moieties covalently attached to the side chains of the amino acid residues that constitute the peptide.
has alternative id: CHEBI:24395
id: CHEBI:24396
has alternative id: CHEBI:5478
has OBO namespace: chebi_ontology
has exact synonym: glycopeptides
in subset: 3 STAR

glycoside
type: Class
subclass of: glycosyl compound
IAO_0000115: A glycosyl compound resulting from the attachment of a glycosyl group to a non-acyl group RO-, RS-, RSe-, etc. The bond between the glycosyl group and the non-acyl group is called a glycosidic bond. By extension, the terms N-glycosides and C-glycosides are used as class names for glycosylamines and for compounds having a glycosyl group attached to a hydrocarbyl group respectively. These terms are misnomers and should not be used. The preferred terms are glycosylamines and C-glycosyl compounds, respectively.
id: CHEBI:24400
has related synonym: O-glycoside
has related synonym: O-glycosides
has OBO namespace: chebi_ontology
has related synonym: glycosides
has exact synonym: glycosides
in subset: 3 STAR

glycosphingolipid
type: Class
subclass of: sphingolipid
subclass of: glycolipid
IAO_0000115: A glycosphingolipid is a glycolipid that is a carbohydrate-containing derivative of a sphingoid or ceramide. It is understood that the carbohydrate residue is attached by a glycosidic linkage to O-1 of the sphingoid.
id: CHEBI:24402
has alternative id: CHEBI:5498
has db xref: PMID:18845618
has db xref: PMID:19303901
has db xref: PMID:26954668
has db xref: PMID:26976737
has db xref: PMID:27253729
has db xref: PMID:27325407
has db xref: Wikipedia:Glycosphingolipid
has OBO namespace: chebi_ontology
has related synonym: glycosphingolipids
in subset: 3 STAR

chemical entity
type: Class
IAO_0000115: A chemical entity is a physical entity of interest in chemistry including molecular entities, parts thereof, and chemical substances.
id: CHEBI:24431
has OBO namespace: chebi_ontology
has exact synonym: chemical entity
in subset: 3 STAR

biological role
type: Class
subclass of: role
IAO_0000115: A role played by the molecular entity or part thereof within a biological context.
id: CHEBI:24432
has related synonym: biological function
has OBO namespace: chebi_ontology
in subset: 3 STAR

group
type: Class
subclass of: chemical entity
subclass of: Restriction
  on property: has part
  some values from: atom
IAO_0000115: A defined linked collection of atoms or a single atom within a molecular entity.
id: CHEBI:24433
has related synonym: Gruppe
has related synonym: Rest
has OBO namespace: chebi_ontology
has exact synonym: group
has related synonym: groupe
has related synonym: grupo
has related synonym: grupos
in subset: 3 STAR

guanidines
type: Class
subclass of: organonitrogen compound
IAO_0000115: Any organonitrogen compound containing a carbamimidamido (guanidino) group. Guanidines have the general structure (R(1)R(2)N)(R(3)R(4)N)C=N-R(5) and are related structurally to amidines and ureas.
id: CHEBI:24436
has OBO namespace: chebi_ontology
in subset: 3 STAR

haloalkane
type: Class
subclass of: organohalogen compound
IAO_0000115: An organohalogen compound that is an alkane in which at least one hydrogen atom has been replaced by with a halogen atom.
id: CHEBI:24469
has related synonym: alkyl halide
has related synonym: alkyl halides
has OBO namespace: chebi_ontology
has related synonym: haloalkanes
in subset: 3 STAR

haloamino acid
type: Class
subclass of: non-proteinogenic amino acid
IAO_0000115: Any non-proteinogenic amino acid carrying at least one halo group.
id: CHEBI:24470
has OBO namespace: chebi_ontology
has related synonym: haloamino acids
in subset: 3 STAR

halogen molecular entity
type: Class
subclass of: p-block molecular entity
subclass of: Restriction
  on property: has part
  some values from: halogen
id: CHEBI:24471
has OBO namespace: chebi_ontology
has related synonym: halogen compounds
has related synonym: halogen molecular entities
has exact synonym: halogen molecular entity
in subset: 3 STAR

halohydrocarbon
type: Class
subclass of: organohalogen compound
IAO_0000115: A compound derived from a hydrocarbon by replacing a hydrogen atom with a halogen atom.
id: CHEBI:24472
has OBO namespace: chebi_ontology
has related synonym: halogenated hydrocarbons
has related synonym: halohydrocarbons
in subset: 3 STAR

halogen
type: Class
subclass of: nonmetal atom
subclass of: p-block element atom
id: CHEBI:24473
has related synonym: Halogene
has OBO namespace: chebi_ontology
has related synonym: group 17 elements
has related synonym: group VII elements
has exact synonym: halogen
has related synonym: halogene
has related synonym: halogenes
has related synonym: halogeno
has related synonym: halogenos
has exact synonym: halogens
in subset: 3 STAR

heparan
type: Class
subclass of: glycosaminoglycan
id: CHEBI:24500
has OBO namespace: chebi_ontology
has related synonym: heparans
in subset: 3 STAR

herbicide
type: Class
subclass of: pesticide
IAO_0000115: A substance used to destroy plant pests.
id: CHEBI:24527
has related synonym: Herbizid
has related synonym: Unkrautbekaempfungsmittel
has related synonym: Unkrautvertilgungsmittel
has db xref: Wikipedia:Herbicide
has related synonym: Wildkrautbekaempfungsmittel
has OBO namespace: chebi_ontology
has related synonym: herbicides
in subset: 3 STAR

organic heterocyclic compound
type: Class
subclass of: heteroorganic entity
subclass of: organic cyclic compound
subclass of: heterocyclic compound
IAO_0000115: A cyclic compound having as ring members atoms of carbon and at least of one other element.
id: CHEBI:24532
has OBO namespace: chebi_ontology
has related synonym: organic heterocycle
has related synonym: organic heterocyclic compounds
in subset: 3 STAR

heterodetic cyclic peptide
type: Class
subclass of: cyclic peptide
IAO_0000115: A heterodetic cyclic peptide is a peptide consisting only of amino-acid residues, but in which the linkages forming the ring are not solely peptide bonds; one or more is an isopeptide, disulfide, ester, or other bond.
id: CHEBI:24533
has OBO namespace: chebi_ontology
has exact synonym: heterodetic cyclic peptide
has related synonym: heterodetic cyclic peptides
has related synonym: peptide cyclique heterodetique
has related synonym: peptido ciclico heterodetico
in subset: 3 STAR

hexitol
type: Class
subclass of: alditol
id: CHEBI:24583
has OBO namespace: chebi_ontology
has exact synonym: hexitol
has related synonym: hexitols
in subset: 3 STAR

hexosamine
type: Class
subclass of: amino monosaccharide
IAO_0000115: Any 6-carbon amino monosaccharide with at least one alcoholic hydroxy group replaced by an amino group.
id: CHEBI:24586
has OBO namespace: chebi_ontology
has exact synonym: hexosamine
has related synonym: hexosamines
in subset: 3 STAR

homocysteines
type: Class
subclass of: non-proteinogenic alpha-amino acid
id: CHEBI:24610
has OBO namespace: chebi_ontology
in subset: 1 STAR

homocystines
type: Class
subclass of: sulfur-containing amino acid
subclass of: organic disulfide
subclass of: non-proteinogenic alpha-amino acid
IAO_0000115: A non-proteinogenic alpha-amino acid obtained by oxidative dimerisation of homocysteine and its derivatives.
id: CHEBI:24612
has OBO namespace: chebi_ontology
in subset: 3 STAR

hormone
type: Class
subclass of: molecular messenger
subclass of: agonist
id: CHEBI:24621
IAO_0000115: Originally referring to an endogenous compound that is formed in specialized organ or group of cells and carried to another organ or group of cells, in the same organism, upon which it has a specific regulatory function, the term is now commonly used to include non-endogenous, semi-synthetic and fully synthetic analogues of such compounds.
has OBO namespace: chebi_ontology
has related synonym: endocrine
has related synonym: hormones
in subset: 3 STAR

imidazolidine-2,4-dione
type: Class
subclass of: imidazolidinone
IAO_0000115: An imidazolidinone with oxo groups at position 2 and 4.
id: CHEBI:24628
has OBO namespace: chebi_ontology
in subset: 3 STAR

hydrocarbon
type: Class
subclass of: organic fundamental parent
IAO_0000115: A compound consisting of carbon and hydrogen only.
id: CHEBI:24632
has related synonym: Kohlenwasserstoff
has related synonym: Kohlenwasserstoffe
has OBO namespace: chebi_ontology
has related synonym: hidrocarburo
has related synonym: hidrocarburos
has exact synonym: hydrocarbon
has exact synonym: hydrocarbons
has related synonym: hydrocarbure
in subset: 3 STAR

hydroxides
type: Class
subclass of: oxygen molecular entity
subclass of: hydrogen molecular entity
subclass of: heteroatomic molecular entity
subclass of: Restriction
  on property: has part
  some values from: hydroxy group
id: CHEBI:24651
IAO_0000115: Hydroxides are chemical compounds containing a hydroxy group or salts containing hydroxide (OH(-)).
has OBO namespace: chebi_ontology
in subset: 3 STAR

hydroxy fatty acid
type: Class
subclass of: fatty acid
subclass of: hydroxy monocarboxylic acid
IAO_0000115: Any fatty acid carrying one or more hydroxy substituents.
id: CHEBI:24654
has db xref: LIPID_MAPS_class:LMFA0105
has db xref: PMID:18296335
has db xref: PMID:6419288
has db xref: PMID:8274032
has OBO namespace: chebi_ontology
has related synonym: hydroxy fatty acids
in subset: 3 STAR

hydroxy-amino acid
type: Class
subclass of: non-proteinogenic alpha-amino acid
IAO_0000115: A non-proteinogenic alpha-amino acid bearing one or more hydroxy groups at unspecified positions.
id: CHEBI:24662
has OBO namespace: chebi_ontology
in subset: 3 STAR

hydroxy-5beta-cholanic acid
type: Class
subclass of: organic hydroxy compound
subclass of: 5beta-cholanic acids
IAO_0000115: Any member of the class of 5beta-cholanic acids carrying at least one hydroxy group at unspecified position.
id: CHEBI:24663
has OBO namespace: chebi_ontology
has related synonym: hydroxy-5beta-cholanic acids
in subset: 3 STAR

hydroxy carboxylic acid
type: Class
subclass of: carboxylic acid
subclass of: organic hydroxy compound
IAO_0000115: Any carboxylic acid with at least one hydroxy group.
id: CHEBI:24669
has OBO namespace: chebi_ontology
has related synonym: hydroxy carboxylic acids
has related synonym: hydroxycarboxylic acid
has related synonym: hydroxycarboxylic acids
in subset: 3 STAR

hydroxybutyric acid
type: Class
subclass of: hydroxy fatty acid
IAO_0000115: Any compound comprising a butyric acid core carrying at least one hydroxy substituent.
formula: C4H8O3
id: CHEBI:24684
has OBO namespace: chebi_ontology
has exact synonym: hydroxybutanoic acid
has related synonym: hydroxybutanoic acids
has related synonym: hydroxybutyric acids
in subset: 3 STAR

hydroxymethyl group
type: Class
subclass of: proteinogenic amino-acid side-chain group
has related synonym: -CH3-OH
charge: 0
monoisotopicmass: 31.018
mass: 31.03392
formula: CH3O
id: CHEBI:24712
has OBO namespace: chebi_ontology
has exact synonym: hydroxymethyl
has related synonym: serine side-chain
in subset: 3 STAR

hydroxyproline
type: Class
subclass of: hydroxy-amino acid
subclass of: proline derivative
subclass of: pyrrolidinemonocarboxylic acid
subclass of: hydroxypyrrolidine
IAO_0000115: A proline derivative that is proline substituted by at least one hydroxy group.
id: CHEBI:24741
has OBO namespace: chebi_ontology
in subset: 3 STAR

imidazoles
type: Class
subclass of: diazole
IAO_0000115: A five-membered organic heterocycle containing two nitrogen atoms at positions 1 and 3, or any of its derivatives; compounds containing an imidazole skeleton.
id: CHEBI:24780
has OBO namespace: chebi_ontology
in subset: 3 STAR

indoles
type: Class
subclass of: benzopyrrole
IAO_0000115: Any compound containing an indole skeleton.
id: CHEBI:24828
has OBO namespace: chebi_ontology
in subset: 3 STAR

oxoacid
type: Class
subclass of: hydroxides
IAO_0000115: A compound which contains oxygen, at least one other element, and at least one hydrogen bound to oxygen, and which produces a conjugate base by loss of positive hydrogen ion(s) (hydrons).
id: CHEBI:24833
has OBO namespace: chebi_ontology
has related synonym: oxacids
has related synonym: oxiacids
has related synonym: oxo acid
has exact synonym: oxoacid
has exact synonym: oxoacids
has related synonym: oxy-acids
has related synonym: oxyacids
in subset: 3 STAR

inorganic anion
type: Class
subclass of: anion
subclass of: inorganic ion
id: CHEBI:24834
has OBO namespace: chebi_ontology
has related synonym: inorganic anions
in subset: 3 STAR

inorganic molecular entity
type: Class
subclass of: molecular entity
IAO_0000115: A molecular entity that contains no carbon.
id: CHEBI:24835
has related synonym: anorganische Verbindungen
has OBO namespace: chebi_ontology
has related synonym: inorganic compounds
has related synonym: inorganic entity
has related synonym: inorganic molecular entities
has related synonym: inorganics
in subset: 3 STAR

inorganic oxide
type: Class
subclass of: inorganic molecular entity
subclass of: oxide
id: CHEBI:24836
has OBO namespace: chebi_ontology
has related synonym: inorganic oxides
in subset: 3 STAR

inorganic peroxide
type: Class
subclass of: inorganic oxide
subclass of: peroxides
id: CHEBI:24837
IAO_0000115: Compounds of structure ROOR' in which R and R' are inorganic groups.
has OBO namespace: chebi_ontology
has exact synonym: inorganic peroxide
has related synonym: inorganic peroxides
in subset: 3 STAR

inorganic salt
type: Class
subclass of: inorganic molecular entity
subclass of: salt
id: CHEBI:24839
has related synonym: anorganisches Salz
has OBO namespace: chebi_ontology
has related synonym: inorganic salts
in subset: 3 STAR

insecticide
type: Class
subclass of: pesticide
id: CHEBI:24852
IAO_0000115: Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects.
has db xref: Wikipedia:Insecticide
has OBO namespace: chebi_ontology
has related synonym: insecticides
in subset: 3 STAR

iodide salt
type: Class
subclass of: iodine molecular entity
subclass of: halide salt
subclass of: Restriction
  on property: has part
  some values from: iodide
id: CHEBI:24858
has OBO namespace: chebi_ontology
has related synonym: iodide salts
has related synonym: iodides
in subset: 3 STAR

iodine atom
type: Class
subclass of: halogen
charge: 0
monoisotopicmass: 126.904
mass: 126.90447
has related synonym: 53I
id: CHEBI:24859
IAO_0000115: Chemical element with atomic number 53.
formula: I
has related synonym: I
inchi: InChI=1S/I
has related synonym: Iod
has related synonym: J
has related synonym: Jod
has db xref: WebElements:I
inchikey: ZCYVEMRRCGMTRW-UHFFFAOYSA-N
smiles: [I]
has OBO namespace: chebi_ontology
has related synonym: iode
has exact synonym: iodine
has related synonym: iodine
has related synonym: iodium
has related synonym: yodo
in subset: 3 STAR

iodine molecular entity
type: Class
subclass of: halogen molecular entity
subclass of: Restriction
  on property: has part
  some values from: iodine atom
id: CHEBI:24860
has OBO namespace: chebi_ontology
has related synonym: iodine compounds
has related synonym: iodine molecular entities
has exact synonym: iodine molecular entity
in subset: 3 STAR

iodoamino acid
type: Class
subclass of: haloamino acid
subclass of: organoiodine compound
IAO_0000115: An amino acid containing at least one iodo substituent.
id: CHEBI:24862
has OBO namespace: chebi_ontology
in subset: 3 STAR

iodophenol
type: Class
subclass of: organoiodine compound
subclass of: halophenol
formula: C6H5IO
id: CHEBI:24863
has OBO namespace: chebi_ontology
has exact synonym: iodophenol
in subset: 3 STAR

iodothyronine
type: Class
subclass of: iodoamino acid
subclass of: phenols
IAO_0000115: An iodoamino acid in which the amino acid specified is thyronine.
id: CHEBI:24864
has OBO namespace: chebi_ontology
has related synonym: iodothyronines
in subset: 3 STAR

salt
type: Class
subclass of: heteroatomic molecular entity
subclass of: Restriction
  on property: has part
  some values from: cation
subclass of: Restriction
  on property: has part
  some values from: anion
IAO_0000115: A salt is an assembly of cations and anions.
id: CHEBI:24866
has related synonym: Salz
has related synonym: Salze
has OBO namespace: chebi_ontology
has related synonym: ionic compound
has related synonym: ionic compounds
has related synonym: sal
has related synonym: sales
has exact synonym: salt
has related synonym: salts
has related synonym: sel
has related synonym: sels
in subset: 3 STAR

monoatomic ion
type: Class
subclass of: ion
subclass of: monoatomic entity
id: CHEBI:24867
has OBO namespace: chebi_ontology
has related synonym: monoatomic ions
in subset: 3 STAR

organic salt
type: Class
subclass of: salt
id: CHEBI:24868
has OBO namespace: chebi_ontology
has related synonym: organic salts
has related synonym: organisches Salz
in subset: 3 STAR

ion
type: Class
subclass of: molecular entity
IAO_0000115: A molecular entity having a net electric charge.
id: CHEBI:24870
has exact synonym: Ion
has related synonym: Ionen
has OBO namespace: chebi_ontology
has exact synonym: ion
has related synonym: iones
has related synonym: ions
in subset: 3 STAR

iron molecular entity
type: Class
subclass of: iron group molecular entity
subclass of: Restriction
  on property: has part
  some values from: iron atom
id: CHEBI:24873
has OBO namespace: chebi_ontology
has related synonym: iron compounds
has related synonym: iron molecular entities
has exact synonym: iron molecular entity
in subset: 3 STAR

iron cation
type: Class
subclass of: transition element cation
subclass of: elemental iron
id: CHEBI:24875
formula: Fe
has related synonym: Fe cation
has OBO namespace: chebi_ontology
has exact synonym: iron cation
has related synonym: iron cations
in subset: 3 STAR

isoleucine
type: Class
subclass of: 2-amino-3-methylpentanoic acid
subclass of: Restriction
  on property: has part
  some values from: sec-butyl group
IAO_0000115: A 2-amino-3-methylpentanoic acid having either (2R,3R)- or (2S,3S)-configuration.
has db xref: Beilstein:1721790
has db xref: CAS:443-79-8
id: CHEBI:24898
has related synonym: Hile
has db xref: PMID:17190852
has db xref: Reaxys:1721790
has OBO namespace: chebi_ontology
has exact synonym: isoleucine
has related synonym: rel-(2R,3R)-2-amino-3-methylpentanoic acid
in subset: 3 STAR

isoprenoid
type: Class
subclass of: lipid
subclass of: organic molecular entity
IAO_0000115: Any lipid formally derived from isoprene (2-methylbuta-1,3-diene), the skeleton of which can generally be discerned in repeated occurrence in the molecule. The skeleton of isoprenoids may differ from strict additivity of isoprene units by loss or shift of a fragment, commonly a methyl group. The class includes both hydrocarbons and oxygenated derivatives.
id: CHEBI:24913
has db xref: LIPID_MAPS_class:LMPR01
has db xref: PMID:12769708
has db xref: PMID:19219049
has OBO namespace: chebi_ontology
has exact synonym: isoprenoid
has related synonym: isoprenoids
has exact synonym: isoprenoids
in subset: 3 STAR

isoquinoline alkaloid
type: Class
subclass of: alkaloid
IAO_0000115: Any alkaloid that has a structure based on an isoquinoline nucleus. They are derived from the amino acids like tyrosine and phenylalanine.
id: CHEBI:24921
has OBO namespace: chebi_ontology
has related synonym: isoquinoline alkaloids
in subset: 3 STAR

isoquinolines
type: Class
subclass of: organonitrogen heterocyclic compound
subclass of: organic heteropolycyclic compound
IAO_0000115: A class of organic heteropolycyclic compound consisting of isoquinoline and its substitution derivatives.
id: CHEBI:24922
has OBO namespace: chebi_ontology
in subset: 3 STAR

ketoaldonate
type: Class
subclass of: carbohydrate acid anion
id: CHEBI:24961
has OBO namespace: chebi_ontology
has exact synonym: ketoaldonate
has related synonym: ketoaldonates
in subset: 3 STAR

ketoaldonic acid
type: Class
subclass of: carbohydrate acid
subclass of: monosaccharide
id: CHEBI:24963
IAO_0000115: Oxo carboxylic acids formally derived from aldonic acids by replacement of a secondary CHOH group by a carbonyl group.
has OBO namespace: chebi_ontology
has exact synonym: ketoaldonic acid
has related synonym: ketoaldonic acids
in subset: 3 STAR

ketohexose
type: Class
subclass of: hexose
subclass of: ketose
IAO_0000115: Any hexose containing a single ketone group.
id: CHEBI:24973
has OBO namespace: chebi_ontology
has exact synonym: ketohexose
has related synonym: ketohexoses
in subset: 3 STAR

ketose
type: Class
subclass of: monosaccharide
id: CHEBI:24978
has alternative id: CHEBI:6131
has OBO namespace: chebi_ontology
has exact synonym: ketose
has related synonym: ketoses
in subset: 3 STAR

lactam
type: Class
subclass of: cyclic amide
subclass of: carboxamide
subclass of: organonitrogen heterocyclic compound
id: CHEBI:24995
IAO_0000115: Cyclic amides of amino carboxylic acids, having a 1-azacycloalkan-2-one structure, or analogues having unsaturation or heteroatoms replacing one or more carbon atoms of the ring.
has related synonym: Laktam
has related synonym: Laktame
has OBO namespace: chebi_ontology
has exact synonym: lactam
has exact synonym: lactams
has related synonym: lactams
in subset: 3 STAR

lactate
type: Class
subclass of: hydroxy monocarboxylic acid anion
charge: -1
has exact synonym: 2-hydroxypropanoate
has related synonym: 2-hydroxypropanoic acid, ion(1-)
has related synonym: 2-hydroxypropionate
monoisotopicmass: 89.024
mass: 89.07000
IAO_0000115: A hydroxy monocarboxylic acid anion that is the conjugate base of lactic acid, arising from deprotonation of the carboxy group.
has db xref: Beilstein:3587719
formula: C3H5O3
has db xref: CAS:113-21-3
smiles: CC(O)C([O-])=O
id: CHEBI:24996
has db xref: Gmelin:240074
inchi: InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1
inchikey: JVTAAEKCZFNVCJ-UHFFFAOYSA-M
has db xref: KEGG:C01432
has related synonym: MeCH(OH)CO2 anion
has db xref: MetaCyc:Lactate
has related synonym: b-lactate
has related synonym: beta-lactate
has OBO namespace: chebi_ontology
has exact synonym: lactate
in subset: 3 STAR

leucine
type: Class
subclass of: branched-chain amino acid
subclass of: alpha-amino acid
subclass of: Restriction
  on property: has part
  some values from: isobutyl group
has related synonym: (+-)-Leucine
has related synonym: (RS)-Leucine
charge: 0
monoisotopicmass: 131.095
mass: 131.17296
has related synonym: 2-amino-4-methylpentanoic acid
IAO_0000115: A branched-chain amino acid that consists of glycine in which one of the hydrogens attached to the alpha-carbon is substituted by an isobutyl group.
has db xref: Beilstein:636005
formula: C6H13NO2
has db xref: CAS:328-39-2
smiles: CC(C)CC(N)C(O)=O
id: CHEBI:25017
has related synonym: DL-Leucine
has db xref: Gmelin:50203
has related synonym: Hleu
inchi: InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)
has db xref: KEGG:C16439
has related synonym: L
has db xref: LIPID_MAPS_instance:LMFA01100048
has related synonym: Leu
has related synonym: Leucin
has related synonym: Leuzin
has db xref: PMID:17439666
inchikey: ROHFNLRQFUQHCH-UHFFFAOYSA-N
has db xref: Reaxys:636005
has db xref: Wikipedia:Leucine
has OBO namespace: chebi_ontology
has exact synonym: leucine
in subset: 3 STAR

leukotriene
type: Class
subclass of: icosanoid
IAO_0000115: Any icosanoid from that family of C20 polyunsaturated fatty acids and their derivatives generated by leukocytes from arachidonic acid, each member having four double bonds of which three are conjugated.
id: CHEBI:25029
has db xref: LIPID_MAPS_class:LMFA0302
has related synonym: Leukotrien
has exact synonym: Leukotriene
has db xref: PMID:10922142
has db xref: PMID:15794321
has db xref: PMID:3001504
has db xref: PMID:6129158
has db xref: PMID:6293196
has db xref: PMID:6311078
has db xref: PMID:8842590
has db xref: PMID:9526099
has db xref: PMID:9561094
has OBO namespace: chebi_ontology
has related synonym: leucotriene
has related synonym: leucotrienes
has exact synonym: leukotriene
has exact synonym: leukotrienes
has related synonym: leukotrienes
in subset: 3 STAR

linear tetrapyrrole
type: Class
subclass of: tetrapyrrole
id: CHEBI:25046
has OBO namespace: chebi_ontology
in subset: 1 STAR

lysine
type: Class
subclass of: alpha-amino acid
subclass of: diamino acid
subclass of: Restriction
  on property: has part
  some values from: 4-aminobutyl group
charge: 0
monoisotopicmass: 146.106
mass: 146.18764
has exact synonym: 2,6-diaminohexanoic acid
IAO_0000115: A diamino acid that is caproic (hexanoic) acid bearing two amino substituents at positions 2 and 6.
has db xref: Beilstein:1616991
formula: C6H14N2O2
has db xref: CAS:70-54-2
id: CHEBI:25094
has db xref: Gmelin:279284
inchi: InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)
has related synonym: K
inchikey: KDXKERNSBIXSRK-UHFFFAOYSA-N
has db xref: KEGG:C16440
has related synonym: LYS
has related synonym: Lysin
smiles: NCCCCC(N)C(O)=O
has db xref: PMID:17439666
has db xref: PMID:22264337
has db xref: Reaxys:1616991
has db xref: Wikipedia:Lysine
has related synonym: alpha,epsilon-diaminocaproic acid
has OBO namespace: chebi_ontology
has exact synonym: lysine
in subset: 3 STAR

magnesium atom
type: Class
subclass of: alkaline earth metal atom
charge: 0
has related synonym: 12Mg
monoisotopicmass: 23.985
mass: 24.30500
has db xref: CAS:7439-95-4
id: CHEBI:25107
has db xref: DrugBank:DB01378
inchikey: FYYHWMGAXLPEAU-UHFFFAOYSA-N
has db xref: Gmelin:16207
inchi: InChI=1S/Mg
has db xref: KEGG:C00305
has related synonym: Magnesium
has related synonym: Mg
formula: Mg
has db xref: WebElements:Mg
smiles: [Mg]
has OBO namespace: chebi_ontology
has related synonym: magnesio
has exact synonym: magnesium
has related synonym: magnesium
in subset: 3 STAR

mandelate
type: Class
subclass of: hydroxy monocarboxylic acid anion
charge: -1
monoisotopicmass: 151.040
mass: 151.13938
has related synonym: 2-hydroxy-2-(4-hydroxyphenyl)acetate
has db xref: Beilstein:3905858
has db xref: Beilstein:4135334
formula: C8H7O3
has db xref: CAS:769-61-9
id: CHEBI:25147
has db xref: Gmelin:328159
inchikey: IWYDHOAUDWTVEP-UHFFFAOYSA-M
inchi: InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)/p-1
smiles: OC(C([O-])=O)c1ccccc1
has related synonym: alpha-hydroxybenzeneacetate
has related synonym: alpha-hydroxybenzeneacetic acid, ion(1-)
has OBO namespace: chebi_ontology
has exact synonym: hydroxy(phenyl)acetate
has related synonym: mandelate ion
in subset: 3 STAR

menaquinones
type: Class
subclass of: prenylnaphthoquinone
charge: 0
IAO_0000115: Any prenylnaphthoquinone having a prenyl or polyprenyl group at position 3 and a methyl group at position 2 on the naphthoquinone ring.
formula: C11H4O2R4(C5H8)n
id: CHEBI:25185
has OBO namespace: chebi_ontology
in subset: 3 STAR

metabolite
type: Class
subclass of: biochemical role
IAO_0000115: Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
id: CHEBI:25212
has alternative id: CHEBI:26619
has alternative id: CHEBI:35220
has OBO namespace: chebi_ontology
has exact synonym: metabolite
has related synonym: metabolites
has related synonym: primary metabolites
has related synonym: secondary metabolites
in subset: 3 STAR

metal cation
type: Class
subclass of: monoatomic cation
subclass of: inorganic cation
id: CHEBI:25213
has related synonym: a metal cation
has OBO namespace: chebi_ontology
has related synonym: metal cations
in subset: 3 STAR

metalloporphyrin
type: Class
subclass of: porphyrins
subclass of: coordination entity
subclass of: metallotetrapyrrole
id: CHEBI:25216
has OBO namespace: chebi_ontology
has related synonym: metalloporphyrins
has related synonym: metaloporphyrins
in subset: 3 STAR

methanesulfonate ester
type: Class
subclass of: methanesulfonates
subclass of: organosulfonic ester
charge: 0
monoisotopicmass: 94.980
mass: 95.099
IAO_0000115: An organosulfonic ester resulting from the formal condensation of methanesulfonic acid with the hydroxy group of an alcohol, phenol, heteroarenol, or enol.
formula: CH3O3SR
id: CHEBI:25223
smiles: CS(O*)(=O)=O
has OBO namespace: chebi_ontology
has related synonym: mesylate ester
has related synonym: mesylate esters
has related synonym: methanesulfonic acid esters
in subset: 3 STAR

methanesulfonate
type: Class
subclass of: 1,1-diunsubstituted alkanesulfonate
charge: -1
monoisotopicmass: 94.980
mass: 95.09872
IAO_0000115: A 1,1-diunsubstituted alkanesulfonate that is the conjugate base of methanesulfonic acid.
inchikey: AFVFQIVMOAPDHO-UHFFFAOYSA-M
formula: CH3O3S
id: CHEBI:25224
smiles: CS([O-])(=O)=O
inchi: InChI=1S/CH4O3S/c1-5(2,3)4/h1H3,(H,2,3,4)/p-1
has db xref: MetaCyc:CPD-3746
has db xref: UM-BBD_compID:c0347
has OBO namespace: chebi_ontology
has exact synonym: methanesulfonate
has related synonym: methylsulfonate
in subset: 3 STAR

monomethoxybenzene
type: Class
subclass of: methoxybenzenes
id: CHEBI:25235
IAO_0000115: Compounds containing a benzene skeleton substituted with one methoxy group.
has OBO namespace: chebi_ontology
has related synonym: monomethoxybenzenes
in subset: 3 STAR

methyl methanesulfonate
type: Class
subclass of: methanesulfonate ester
charge: 0
monoisotopicmass: 110.004
mass: 110.13200
IAO_0000115: A methanesulfonate ester resulting from the formal condensation of methanesulfonic acid with methanol.
formula: C2H6O3S
has db xref: CAS:66-27-3
has related synonym: CB1540
id: CHEBI:25255
smiles: COS(C)(=O)=O
inchi: InChI=1S/C2H6O3S/c1-5-6(2,3)4/h1-2H3
has db xref: KEGG:C19181
inchikey: MBABOKRGFJTBAE-UHFFFAOYSA-N
has related synonym: MMS
has db xref: MetaCyc:CPD-7038
has related synonym: Methanesulfonic acid methyl ester
has related synonym: Methyl mesylate
has db xref: PMID:11016630
has db xref: PMID:14761437
has db xref: PMID:16764919
has db xref: PMID:21353429
has db xref: PMID:21860482
has db xref: PMID:22907509
has db xref: PMID:23117069
has db xref: PMID:23384783
has db xref: PMID:23483329
has db xref: Reaxys:1098586
has db xref: Wikipedia:Methyl_methanesulfonate
has related synonym: as-Dimethyl sulfite
has OBO namespace: chebi_ontology
has exact synonym: methyl methanesulfonate
in subset: 3 STAR

methylamines
type: Class
subclass of: alkylamines
id: CHEBI:25274
has OBO namespace: chebi_ontology
has related synonym: methylated amines
in subset: 3 STAR

methyltetrahydrofolate
type: Class
subclass of: tetrahydrofolate
IAO_0000115: A group of heterocyclic compounds based on the N-methylated 5,6,7,8-tetrahydropteroic acid skeleton conjugated with one or more L-glutamic acid or L-glutamate units.
id: CHEBI:25345
has OBO namespace: chebi_ontology
has related synonym: methyltetrahydrofolates
in subset: 3 STAR

methylxanthine
type: Class
subclass of: purine alkaloid
id: CHEBI:25348
has OBO namespace: chebi_ontology
has related synonym: methylxanthines
in subset: 3 STAR

mineralocorticoid
type: Class
subclass of: corticosteroid hormone
id: CHEBI:25354
IAO_0000115: Mineralocorticoids are a class of steroid hormones that regulate water and electrolyte metabolism.
has OBO namespace: chebi_ontology
has related synonym: mineralocorticoids
in subset: 3 STAR

mitochondrial respiratory-chain inhibitor
type: Class
subclass of: respiratory-chain inhibitor
id: CHEBI:25355
has OBO namespace: chebi_ontology
has related synonym: mitochondrial electron transport chain inhibitors
has related synonym: mitochondrial electron-transport chain inhibitor
has related synonym: mitochondrial respiratory chain inhibitors
in subset: 3 STAR

elemental molecule
type: Class
subclass of: molecule
subclass of: elemental molecular entity
IAO_0000115: A molecule all atoms of which have the same atomic number.
id: CHEBI:25362
has OBO namespace: chebi_ontology
has related synonym: homoatomic molecule
has related synonym: homoatomic molecules
in subset: 3 STAR

molecule
type: Class
subclass of: polyatomic entity
IAO_0000115: Any polyatomic entity that is an electrically neutral entity consisting of more than one atom.
id: CHEBI:25367
has related synonym: Molekuel
has OBO namespace: chebi_ontology
has related synonym: molecula
has exact synonym: molecule
has related synonym: molecules
has related synonym: neutral molecular compounds
in subset: 3 STAR

molybdenum molecular entity
type: Class
subclass of: chromium group molecular entity
subclass of: Restriction
  on property: has part
  some values from: molybdenum atom
id: CHEBI:25370
has OBO namespace: chebi_ontology
has related synonym: molybdenum compounds
has related synonym: molybdenum molecular entities
in subset: 3 STAR

molybdopterin cofactor
type: Class
subclass of: molybdopterins
IAO_0000115: A molybdopterin to which a metal or metal oxide is coordinated, and that acts as a prosthetic group.
id: CHEBI:25372
has db xref: COMe:MOL000127
has OBO namespace: chebi_ontology
has related synonym: molybdopterin cofactors
in subset: 3 STAR

monoamine molecular messenger
type: Class
subclass of: monoamine
IAO_0000115: A group of neurotransmitters and neuromodulators that contain one amino group that is connected to an aromatic ring by ethylene group (-CH2-CH2-). Monoamines are derived from the aromatic amino acids phenylalanine, tyrosine, histidine and tryptophan.
id: CHEBI:25375
has OBO namespace: chebi_ontology
has related synonym: monamines
has related synonym: monoamine
has related synonym: monoamines
in subset: 3 STAR

monocarboxylic acid
type: Class
subclass of: carboxylic acid
IAO_0000115: An oxoacid containing a single carboxy group.
id: CHEBI:25384
has OBO namespace: chebi_ontology
has exact synonym: monocarboxylic acid
has related synonym: monocarboxylic acids
in subset: 3 STAR

monounsaturated fatty acid
type: Class
subclass of: unsaturated fatty acid
IAO_0000115: Any fatty acid with one double or triple bond in the fatty acid chain and singly bonded carbon atoms in the rest of the chain. MUFAs have positive effects on the cardiovascular system, and in diabetes treatment.
id: CHEBI:25413
has related synonym: MUFA
has related synonym: MUFAs
has db xref: PMID:10584045
has db xref: PMID:12936956
has OBO namespace: chebi_ontology
has related synonym: monounsaturated fatty acids
in subset: 3 STAR

monoatomic monocation
type: Class
subclass of: monoatomic cation
charge: +1
mass: 0.00000
id: CHEBI:25414
smiles: [*+]
has OBO namespace: chebi_ontology
has related synonym: monoatomic monocations
has related synonym: monovalent cation
has related synonym: monovalent inorganic cations
in subset: 3 STAR

mutagen
type: Class
subclass of: genotoxin
IAO_0000115: An agent that increases the frequency of mutations above the normal background level, usually by interacting directly with DNA and causing it damage, including base substitution.
id: CHEBI:25435
has db xref: Wikipedia:Mutagen
has OBO namespace: chebi_ontology
has related synonym: mutagene
has related synonym: mutagenes
has related synonym: mutagenic agent
has related synonym: mutageno
has related synonym: mutagenos
has related synonym: mutagens
in subset: 3 STAR

mycotoxin
type: Class
subclass of: toxin
subclass of: fungal metabolite
id: CHEBI:25442
IAO_0000115: Poisonous substance produced by fungi.
has OBO namespace: chebi_ontology
has related synonym: fungal toxins
has related synonym: mycotoxins
in subset: 3 STAR

naphthoquinone
type: Class
subclass of: quinone
IAO_0000115: A polycyclic aromatic ketone metabolite of naphthalene.
id: CHEBI:25481
has OBO namespace: chebi_ontology
has related synonym: naphthoquinones
in subset: 3 STAR

nematicide
type: Class
subclass of: pesticide
IAO_0000115: A substance used to destroy pests of the phylum Nematoda (roundworms).
id: CHEBI:25491
has db xref: Wikipedia:Nematicide
has OBO namespace: chebi_ontology
has related synonym: nematicides
has related synonym: nematocide
has related synonym: nematocides
in subset: 3 STAR

neopterins
type: Class
subclass of: pterins
id: CHEBI:25500
has OBO namespace: chebi_ontology
in subset: 3 STAR

neuraminates
type: Class
subclass of: ketoaldonate derivative
id: CHEBI:25506
has OBO namespace: chebi_ontology
in subset: 3 STAR

neuraminic acids
type: Class
subclass of: amino sugar
subclass of: ketoaldonic acid derivative
id: CHEBI:25508
has OBO namespace: chebi_ontology
in subset: 3 STAR

neurotransmitter
type: Class
subclass of: molecular messenger
IAO_0000115: An endogenous compound that is used to transmit information across the synapse between a neuron and another cell.
id: CHEBI:25512
has db xref: Wikipedia:Neurotransmitter
has OBO namespace: chebi_ontology
has related synonym: neurotransmitters
in subset: 3 STAR

neutral glycosphingolipid
type: Class
subclass of: glycosphingolipid
IAO_0000115: Any glycosphingolipid containing unsubstituted glycosyl moieties.
id: CHEBI:25513
has alternative id: CHEBI:7543
has OBO namespace: chebi_ontology
has related synonym: neutral glycosphingolipids
in subset: 3 STAR

aldicarb
type: Class
subclass of: carbamate ester
charge: 0
monoisotopicmass: 190.078
mass: 190.26300
has related synonym: 2-Methyl-2-(methylthio)propanal, O-((methylamino)carbonyl)oxime
has related synonym: 2-Methyl-2-(methylthio)propionaldehyde O-(methylcarbamoyl)oxime
has related synonym: 2-Methyl-2-methylthio-propionaldehyd-O-(N-methyl-carbamoyl)-oxim
has exact synonym: 2-methyl-N-[(methylcarbamoyl)oxy]-2-(methylsulfanyl)propan-1-imine
has exact synonym: Aldicarb
has db xref: Beilstein:2046931
formula: C7H14N2O2S
has db xref: CAS:116-06-3
id: CHEBI:2555
inchi: InChI=1S/C7H14N2O2S/c1-7(2,12-4)5-9-11-6(10)8-3/h5H,1-4H3,(H,8,10)
has db xref: KEGG:C11015
has db xref: LINCS:LSM-20978
has db xref: PPDB:19
has db xref: Patent:US3217037
inchikey: QGLZXHRNAYXIBU-UHFFFAOYSA-N
IAO_0000115: The oxime carbamate resulting from the addition of 2-methyl-2-(methylsulfanyl)propanaldoxime to methyl isocyanate. A member of the class of oxime carbamate insecticides, aldicarb is a mixture of E and Z isomers; it is not known which isomer is more active.
smiles: [H]C(=NOC(=O)NC)C(C)(C)SC
has related synonym: aldicarbe
has OBO namespace: chebi_ontology
in subset: 3 STAR

nitrogen atom
type: Class
subclass of: nonmetal atom
subclass of: pnictogen
has related synonym: 7N
id: CHEBI:25555
formula: N
has related synonym: N
has related synonym: Stickstoff
has db xref: WebElements:N
has related synonym: azote
has OBO namespace: chebi_ontology
has related synonym: nitrogen
has exact synonym: nitrogen
has related synonym: nitrogeno
in subset: 3 STAR

nitrous acid
type: Class
subclass of: nitrogen oxoacid
charge: 0
monoisotopicmass: 47.001
mass: 47.01348
has db xref: CAS:7782-77-6
id: CHEBI:25567
has db xref: Gmelin:983
has related synonym: HNO2
formula: HNO2
inchikey: IOVCWXUNBOPUCH-UHFFFAOYSA-N
inchi: InChI=1S/HNO2/c2-1-3/h(H,2,3)
has db xref: KEGG:C00088
has db xref: PDBeChem:NO2
smiles: [H]ON=O
has related synonym: [NO(OH)]
has OBO namespace: chebi_ontology
has exact synonym: dioxonitric acid
has exact synonym: hydrogen dioxonitrate(1-)
has exact synonym: hydroxidooxidonitrogen
has related synonym: nitrosyl hydroxide
has exact synonym: nitrous acid
in subset: 3 STAR

nonanone
type: Class
subclass of: ketone
IAO_0000115: Any ketone that is nonane substituted by an oxo group at unspecified position.
id: CHEBI:25579
has OBO namespace: chebi_ontology
has related synonym: nonanones
in subset: 3 STAR

nonmetal atom
type: Class
subclass of: atom
id: CHEBI:25585
has related synonym: Nichtmetall
has related synonym: Nichtmetalle
has OBO namespace: chebi_ontology
has related synonym: no metal
has related synonym: no metales
has related synonym: non-metal
has related synonym: non-metaux
has exact synonym: nonmetal
has related synonym: nonmetal
has related synonym: nonmetals
in subset: 3 STAR

nucleoside phosphate
type: Class
subclass of: organic phosphate
subclass of: phosphoric ester
subclass of: nucleobase-containing molecular entity
IAO_0000115: A nucleobase-containing molecular entity that is a nucleoside in which one or more of the sugar hydroxy groups has been converted into a mono- or poly-phosphate. The term includes both nucleotides and non-nucleotide nucleoside phosphates.
id: CHEBI:25608
has db xref: KEGG:C01329
has related synonym: NMP
has related synonym: Nucleoside monophosphate
has OBO namespace: chebi_ontology
has related synonym: nucleoside phosphates
in subset: 3 STAR

oligopeptide
type: Class
subclass of: peptide
IAO_0000115: A peptide containing a relatively small number of amino acids.
id: CHEBI:25676
has alternative id: CHEBI:7755
has related synonym: Oligopeptid
has db xref: Wikipedia:Oligopeptide
has OBO namespace: chebi_ontology
has exact synonym: oligopeptides
has related synonym: oligopeptido
in subset: 3 STAR

organic heteromonocyclic compound
type: Class
subclass of: organic heterocyclic compound
subclass of: heteromonocyclic compound
id: CHEBI:25693
has OBO namespace: chebi_ontology
has related synonym: organic heteromonocyclic compounds
in subset: 3 STAR

organic anion
type: Class
subclass of: anion
subclass of: organic ion
IAO_0000115: Any organic ion with a net negative charge.
id: CHEBI:25696
has OBO namespace: chebi_ontology
has related synonym: organic anions
in subset: 3 STAR

organic cation
type: Class
subclass of: organic ion
subclass of: cation
IAO_0000115: Any organic ion with a net positive charge.
id: CHEBI:25697
has OBO namespace: chebi_ontology
has related synonym: organic cations
in subset: 3 STAR

ether
type: Class
subclass of: organooxygen compound
charge: 0
monoisotopicmass: 15.995
mass: 15.99940
IAO_0000115: An organooxygen compound with formula ROR, where R is not hydrogen.
id: CHEBI:25698
formula: OR2
smiles: [*]O[*]
has OBO namespace: chebi_ontology
has exact synonym: ether
has related synonym: ethers
has exact synonym: ethers
in subset: 3 STAR

organic ion
type: Class
subclass of: ion
subclass of: organic molecular entity
id: CHEBI:25699
has OBO namespace: chebi_ontology
has related synonym: organic ions
in subset: 3 STAR

organic oxide
type: Class
subclass of: oxide
subclass of: organic molecule
IAO_0000115: An oxide in which the oxygen atom is bonded to a carbon atom.
id: CHEBI:25701
has OBO namespace: chebi_ontology
has related synonym: organic oxides
in subset: 3 STAR

organic phosphate
type: Class
subclass of: organophosphorus compound
subclass of: phosphate
subclass of: phosphoric acid derivative
id: CHEBI:25703
has OBO namespace: chebi_ontology
has exact synonym: organic phosphate
has related synonym: organic phosphate ester
has related synonym: organic phosphate esters
has related synonym: organic phosphates
has related synonym: organophosphate ester
has related synonym: organophosphate esters
in subset: 3 STAR

organic sulfate
type: Class
subclass of: sulfates
subclass of: sulfuric acid derivative
id: CHEBI:25704
IAO_0000115: Compounds of the general formula SO3HOR where R is an organyl group
has OBO namespace: chebi_ontology
has related synonym: organic sulfates
in subset: 3 STAR

aliphatic alcohol
type: Class
subclass of: alcohol
charge: 0
monoisotopicmass: 17.003
mass: 17.007
has exact synonym: Aliphatic alcohol
IAO_0000115: An alcohol derived from an aliphatic compound.
id: CHEBI:2571
formula: HOR
has db xref: KEGG:C02525
smiles: O*
has related synonym: aliphatic alcohols
has related synonym: an aliphatic alcohol
has OBO namespace: chebi_ontology
in subset: 3 STAR

organophosphorus compound
type: Class
subclass of: phosphorus molecular entity
subclass of: heteroorganic entity
IAO_0000115: An organophosphorus compound is formally a compound containing at least one carbon-phosphorus bond, but the term is often extended to include esters and thioesters.
id: CHEBI:25710
has OBO namespace: chebi_ontology
has exact synonym: organophosphorus compound
has related synonym: organophosphorus compounds
in subset: 3 STAR

osmolyte
type: Class
subclass of: biological role
IAO_0000115: A solute used by a cell under water stress to maintain cell volume.
id: CHEBI:25728
has OBO namespace: chebi_ontology
has related synonym: osmolytes
in subset: 3 STAR

oxide
type: Class
subclass of: oxygen molecular entity
subclass of: heteroatomic molecular entity
IAO_0000115: An oxide is a chemical compound of oxygen with other chemical elements.
id: CHEBI:25741
has OBO namespace: chebi_ontology
has exact synonym: oxide
has related synonym: oxides
in subset: 3 STAR

oxime
type: Class
subclass of: organic molecular entity
subclass of: nitrogen molecular entity
charge: 0
monoisotopicmass: 43.006
mass: 43.02470
id: CHEBI:25750
formula: CHNOR2
IAO_0000115: Compounds of structure R2C=NOH derived from condensation of aldehydes or ketones with hydroxylamine. Oximes from aldehydes may be called aldoximes; those from ketones may be called ketoximes.
smiles: O\N=C(\[*])[*]
has OBO namespace: chebi_ontology
has exact synonym: oxime
has exact synonym: oximes
has related synonym: oximes
in subset: 3 STAR

oxo carboxylic acid
type: Class
subclass of: carboxylic acid
IAO_0000115: Any compound that has an aldehydic or ketonic group as well as a carboxylic acid group in the same molecule.
id: CHEBI:25754
has OBO namespace: chebi_ontology
has related synonym: oxo acids
has related synonym: oxo carboxylic acids
has exact synonym: oxo carboxylic acids
in subset: 3 STAR

oxopentanoates
type: Class
subclass of: oxo monocarboxylic acid anion
subclass of: oxo fatty acid anion
formula: C5H7O3
id: CHEBI:25798
IAO_0000115: The conjugate base of any oxopentanoic acid.
has OBO namespace: chebi_ontology
has exact synonym: oxopentanoate
in subset: 3 STAR

oxopentanoic acid
type: Class
subclass of: oxo fatty acid
IAO_0000115: A C5 fatty acid carrying an oxo group at any position.
formula: C5H8O3
id: CHEBI:25799
has OBO namespace: chebi_ontology
has exact synonym: oxopentanoic acid
has related synonym: oxovaleric acid
in subset: 3 STAR

unsaturated fatty acid anion
type: Class
subclass of: fatty acid anion
IAO_0000115: Any fatty acid anion containing at least one C-C unsaturated bond; formed by deprotonation of the carboxylic acid moiety.
id: CHEBI:2580
has related synonym: an unsaturated fatty acid
has OBO namespace: chebi_ontology
in subset: 3 STAR

oxoproline
type: Class
subclass of: proline derivative
subclass of: pyrrolidinone
subclass of: pyrrolidinemonocarboxylic acid
IAO_0000115: A pyrrolidinemonocarboxylic acid consisting of proline bearing a single oxo substituent.
formula: C5H7NO3
id: CHEBI:25801
has OBO namespace: chebi_ontology
has exact synonym: oxoproline
in subset: 3 STAR

oxygen atom
type: Class
subclass of: nonmetal atom
subclass of: chalcogen
charge: 0
monoisotopicmass: 15.995
mass: 15.99940
has related synonym: 8O
id: CHEBI:25805
inchi: InChI=1S/O
has db xref: KEGG:C00007
has related synonym: O
formula: O
inchikey: QVGXLLKOCUKJST-UHFFFAOYSA-N
has related synonym: Sauerstoff
has db xref: WebElements:O
smiles: [O]
has OBO namespace: chebi_ontology
has related synonym: oxigeno
has exact synonym: oxygen
has related synonym: oxygen
has related synonym: oxygene
in subset: 3 STAR

oxygen molecular entity
type: Class
subclass of: chalcogen molecular entity
subclass of: Restriction
  on property: has part
  some values from: oxygen atom
id: CHEBI:25806
has OBO namespace: chebi_ontology
has related synonym: oxygen molecular entities
has exact synonym: oxygen molecular entity
in subset: 3 STAR

oxopurine
type: Class
subclass of: purines
id: CHEBI:25810
has OBO namespace: chebi_ontology
has related synonym: oxopurines
in subset: 3 STAR

p-quinones
type: Class
subclass of: quinone
IAO_0000115: A quinone in which the two oxo groups of the quinone are located para to each other on the 6-membered quinonoid ring.
id: CHEBI:25830
has OBO namespace: chebi_ontology
has related synonym: p-quinone
has related synonym: para-quinones
in subset: 3 STAR

pentanone
type: Class
subclass of: ketone
IAO_0000115: Any ketone that is pentane substituted by an oxo group at unspecified position.
id: CHEBI:25892
has OBO namespace: chebi_ontology
has related synonym: pentanones
in subset: 3 STAR

pentenoic acid
type: Class
subclass of: monounsaturated fatty acid
subclass of: short-chain fatty acid
subclass of: straight-chain fatty acid
IAO_0000115: Any C5, straight-chain, monounsaturated fatty acid.
has related synonym: C5:1
formula: C5H8O2
id: CHEBI:25897
has OBO namespace: chebi_ontology
has exact synonym: pentenoic acid
has related synonym: pentenoic acids
in subset: 3 STAR

pentitol
type: Class
subclass of: alditol
IAO_0000115: An alditol obtained by reduction of any pentose.
id: CHEBI:25899
has OBO namespace: chebi_ontology
has exact synonym: pentitol
has related synonym: pentitols
in subset: 3 STAR

aldopentose phosphate
type: Class
subclass of: aldose phosphate
subclass of: pentose phosphate
id: CHEBI:25900
has exact synonym: aldopentose phosphate
has related synonym: aldopentose phosphates
has OBO namespace: chebi_ontology
in subset: 3 STAR

pentose
type: Class
subclass of: monosaccharide
IAO_0000115: A five-carbon monosaccharide which in its linear form contains either an aldehyde group at position 1 (aldopentose) or a ketone group at position 2 (ketopentose).
id: CHEBI:25901
has OBO namespace: chebi_ontology
has exact synonym: pentose
has related synonym: pentoses
in subset: 3 STAR

peptide hormone
type: Class
subclass of: peptide
IAO_0000115: Any peptide with hormonal activity in animals, whether endocrine, neuroendocrine, or paracrine.
id: CHEBI:25905
has OBO namespace: chebi_ontology
has related synonym: peptide hormones
has related synonym: polypeptide hormone
in subset: 3 STAR

peroxides
type: Class
subclass of: oxide
subclass of: Restriction
  on property: has part
  some values from: peroxy group
charge: 0
monoisotopicmass: 31.990
id: CHEBI:25940
IAO_0000115: Compounds of structure ROOR'.
formula: O2R2
smiles: [*]OO[*]
has related synonym: a peroxide
has OBO namespace: chebi_ontology
in subset: 3 STAR

pesticide
type: Class
subclass of: application
id: CHEBI:25944
has related synonym: Pestizid
has related synonym: Pestizide
IAO_0000115: Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.
has db xref: Wikipedia:Pesticide
has OBO namespace: chebi_ontology
has exact synonym: pesticide
has related synonym: pesticides
in subset: 3 STAR

phenylalanine derivative
type: Class
subclass of: amino acid derivative
IAO_0000115: An amino acid derivative resulting from reaction of alanine at the amino group or the carboxy group, or from the replacement of any hydrogen of phenylalanine by a heteroatom. The definition normally excludes peptides containing phenylalanine residues.
id: CHEBI:25985
has OBO namespace: chebi_ontology
in subset: 3 STAR

phenylethanolamines
type: Class
subclass of: ethanolamines
IAO_0000115: An ethanolamine compound having a phenyl (substituted or unsubstituted) group on the carbon bearing the hydroxy substituent.
id: CHEBI:25990
has OBO namespace: chebi_ontology
in subset: 3 STAR

pheromone
type: Class
subclass of: semiochemical
IAO_0000115: A semiochemical used in olfactory communication between organisms of the same species eliciting a change in sexual or social behaviour.
id: CHEBI:26013
has db xref: PMID:23988175
has db xref: Wikipedia:Pheromone
has OBO namespace: chebi_ontology
has related synonym: ectohormone
has related synonym: feromone
has exact synonym: pheromone
has related synonym: pheromones
in subset: 3 STAR

phosphate
type: Class
subclass of: phosphoric acid derivative
id: CHEBI:26020
IAO_0000115: Salts and esters of phosphoric and oligophosphoric acids and their chalcogen analogues. In inorganic chemistry, the term is also used to describe anionic coordination entities with phosphorus as central atom.
has OBO namespace: chebi_ontology
has related synonym: phosphates
has exact synonym: phosphates
in subset: 3 STAR

phosphoric acid
type: Class
subclass of: phosphoric acids
charge: 0
monoisotopicmass: 97.977
mass: 97.99520
IAO_0000115: A phosphorus oxoacid that consits of one oxo and three hydroxy groups joined covalently to a central phosphorus atom.
has db xref: Beilstein:1921286
has db xref: CAS:7664-38-2
id: CHEBI:26078
has db xref: Drug_Central:4478
has db xref: Gmelin:2000
formula: H3O4P
has related synonym: H3PO4
has db xref: HMDB:HMDB0002142
inchi: InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)
has db xref: KEGG:C00009
has db xref: KEGG:D05467
has db xref: KNApSAcK:C00007408
inchikey: NBIIXXVUZAFLBC-UHFFFAOYSA-N
has related synonym: Orthophosphoric acid
has db xref: PMID:11455380
has db xref: PMID:15630224
has db xref: PMID:17439666
has db xref: PMID:17518491
has db xref: PMID:22282755
has db xref: PMID:22333268
has db xref: PMID:22381614
has db xref: PMID:22401268
has related synonym: Phosphate
has exact synonym: Phosphoric acid
has related synonym: Phosphorsaeure
has related synonym: Phosphorsaeureloesungen
has db xref: Reaxys:1921286
has db xref: Wikipedia:Phosphoric_Acid
smiles: [H]OP(=O)(O[H])O[H]
has related synonym: [PO(OH)3]
has related synonym: acide phosphorique
has related synonym: acidum phosphoricum
has OBO namespace: chebi_ontology
has related synonym: orthophosphoric acid
has exact synonym: phosphoric acid
has exact synonym: tetraoxophosphoric acid
has exact synonym: trihydrogen tetraoxophosphate(3-)
has exact synonym: trihydroxidooxidophosphorus
in subset: 3 STAR

phosphoric acid derivative
type: Class
subclass of: phosphorus oxoacid derivative
id: CHEBI:26079
has OBO namespace: chebi_ontology
in subset: 1 STAR

phosphorus molecular entity
type: Class
subclass of: pnictogen molecular entity
subclass of: Restriction
  on property: has part
  some values from: phosphorus atom
id: CHEBI:26082
has OBO namespace: chebi_ontology
has related synonym: phosphorus molecular entities
in subset: 3 STAR

phylloquinones
type: Class
subclass of: phytylnaphthoquinone
subclass of: prenylquinone
id: CHEBI:26106
has OBO namespace: chebi_ontology
in subset: 1 STAR

phytosteroid
type: Class
subclass of: hydroxy steroid
id: CHEBI:26124
has OBO namespace: chebi_ontology
has related synonym: phytosteroids
in subset: 3 STAR

phytosterols
type: Class
subclass of: sterol
subclass of: phytosteroid
id: CHEBI:26125
IAO_0000115: Sterols similar to cholesterol which occur in plants and vary only in carbon side chains and/or presence or absence of a double bond.
has db xref: Wikipedia:Phytosterol
has OBO namespace: chebi_ontology
in subset: 3 STAR

phytylnaphthoquinone
type: Class
subclass of: naphthoquinone
id: CHEBI:26127
has OBO namespace: chebi_ontology
in subset: 1 STAR

biological pigment
type: Class
subclass of: biophysical role
IAO_0000115: An endogenous molecular entity that results in a colour of an organism as the consequence of the selective absorption of light.
id: CHEBI:26130
has OBO namespace: chebi_ontology
has related synonym: pigments
in subset: 3 STAR

piperazines
type: Class
subclass of: organic heteromonocyclic compound
subclass of: organonitrogen heterocyclic compound
id: CHEBI:26144
has OBO namespace: chebi_ontology
in subset: 3 STAR

plant growth regulator
type: Class
subclass of: growth regulator
IAO_0000115: A chemical, natural or artificial, that can affect the rate of growth of a plant.
id: CHEBI:26155
has OBO namespace: chebi_ontology
has related synonym: plant growth regulators
in subset: 3 STAR

polar amino acid
type: Class
subclass of: amino acid
id: CHEBI:26167
has alternative id: CHEBI:8283
has OBO namespace: chebi_ontology
in subset: 1 STAR

polyol
type: Class
subclass of: organic hydroxy compound
IAO_0000115: A compound that contains two or more hydroxy groups.
id: CHEBI:26191
has OBO namespace: chebi_ontology
has related synonym: polyols
in subset: 3 STAR

porphyrins
type: Class
subclass of: cyclic tetrapyrrole
id: CHEBI:26214
IAO_0000115: Natural pigments containing a fundamental skeleton of four pyrrole nuclei united through the alpha-positions by four methine groups to form a macrocyclic structure.
has db xref: Wikipedia:Porphyrin
has OBO namespace: chebi_ontology
has exact synonym: porphyrins
in subset: 3 STAR

potassium atom
type: Class
subclass of: alkali metal atom
charge: 0
has related synonym: 19K
monoisotopicmass: 38.964
mass: 39.09830
has db xref: CAS:7440-09-7
id: CHEBI:26216
has db xref: DrugBank:DB01345
inchi: InChI=1S/K
formula: K
has related synonym: K
has db xref: KEGG:C00238
has related synonym: Kalium
has db xref: WebElements:K
inchikey: ZLMJMSJWJFRBEC-UHFFFAOYSA-N
smiles: [K]
has OBO namespace: chebi_ontology
has related synonym: kalium
has related synonym: potasio
has exact synonym: potassium
has related synonym: potassium
in subset: 3 STAR

potassium molecular entity
type: Class
subclass of: alkali metal molecular entity
subclass of: Restriction
  on property: has part
  some values from: potassium atom
id: CHEBI:26217
has OBO namespace: chebi_ontology
has related synonym: potassium molecular entities
has exact synonym: potassium molecular entity
in subset: 3 STAR

prenylnaphthoquinone
type: Class
subclass of: naphthoquinone
subclass of: prenylquinone
id: CHEBI:26254
has OBO namespace: chebi_ontology
in subset: 1 STAR

prenylquinone
type: Class
subclass of: p-quinones
IAO_0000115: A quinone substituted by a polyprenyl-derived side-chain. Prenylquinones occur in all living cells. Due to their amphiphilic character, they are mainly located in biological membranes where they function as electron and proton carriers in the photosynthetic and respiratory electron transport chains. Some prenylquinones also perform more specialised roles sucy as antioxidants and enzyme cofactors. Prenylquinones are classified according to ring structure: the main classes are menaquinones, phylloquinones, ubiquinones and plastoquinones.
id: CHEBI:26255
has alternative id: CHEBI:72751
has db xref: PMID:19928587
has db xref: PMID:21777468
has db xref: PMID:21844348
has db xref: PMID:22371323
has db xref: PMID:3985624
has OBO namespace: chebi_ontology
has related synonym: polyprenylquinone
has related synonym: polyprenylquinones
has related synonym: prenylquinones
in subset: 3 STAR

proline
type: Class
subclass of: alpha-amino acid
subclass of: pyrrolidines
charge: 0
monoisotopicmass: 115.063
mass: 115.13050
IAO_0000115: An alpha-amino acid that is pyrrolidine bearing a carboxy substituent at position 2.
has db xref: Beilstein:80809
formula: C5H9NO2
has db xref: CAS:609-36-9
id: CHEBI:26271
has related synonym: DL-Proline
has db xref: Gmelin:26927
has related synonym: Hpro
inchi: InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)
has db xref: KEGG:C16435
smiles: OC(=O)C1CCCN1
inchikey: ONIBWKKTOPOVIA-UHFFFAOYSA-N
has db xref: PMID:16534801
has db xref: PMID:21400017
has db xref: PMID:21903295
has db xref: PMID:22264337
has db xref: PMID:22280966
has db xref: PMID:22770225
has related synonym: Prolin
has db xref: Reaxys:80809
has db xref: Wikipedia:Proline
has OBO namespace: chebi_ontology
has related synonym: prolina
has exact synonym: proline
has related synonym: pyrrolidine-2-carboxylic acid
in subset: 3 STAR

proline derivative
type: Class
subclass of: amino acid derivative
IAO_0000115: An amino acid derivative resulting from reaction of proline at the amino group or the carboxy group, or from the replacement of any hydrogen of proline by a heteroatom. The definition normally excludes peptides containing proline residues.
id: CHEBI:26273
has OBO namespace: chebi_ontology
has related synonym: proline derivatives
in subset: 3 STAR

propane-1,2-diols
type: Class
subclass of: propanediol
id: CHEBI:26284
has OBO namespace: chebi_ontology
in subset: 1 STAR

propanediol
type: Class
subclass of: glycol
id: CHEBI:26288
has OBO namespace: chebi_ontology
in subset: 1 STAR

propanones
type: Class
subclass of: ketone
IAO_0000115: A ketone that is propane carrying at least one oxo substituent.
id: CHEBI:26292
has OBO namespace: chebi_ontology
in subset: 3 STAR

prostaglandin
type: Class
subclass of: prostanoid
has db xref: CAS:11000-26-3
id: CHEBI:26333
has db xref: LIPID_MAPS_class:LMFA0301
IAO_0000115: Naturally occurring compounds derived from the parent C20 acid, prostanoic acid.
has OBO namespace: chebi_ontology
has exact synonym: prostaglandin
has exact synonym: prostaglandins
has related synonym: prostaglandins
in subset: 3 STAR

prostaglandins E
type: Class
subclass of: prostaglandin
subclass of: secondary alcohol
subclass of: cyclic ketone
charge: 0
monoisotopicmass: 98.037
mass: 98.09990
formula: C5H6O2R2
id: CHEBI:26338
smiles: O[C@@H]1CC(=O)[C@H]([*])[C@H]1[*]
has related synonym: PGE
has OBO namespace: chebi_ontology
in subset: 3 STAR

prostanoid
type: Class
subclass of: icosanoid
id: CHEBI:26347
IAO_0000115: The family of natural prostaglandins and prostaglandin-like compounds including prostacyclins and thromboxanes.
has OBO namespace: chebi_ontology
has exact synonym: prostanoid
has exact synonym: prostanoids
has related synonym: prostanoids
in subset: 3 STAR

prosthetic group
type: Class
subclass of: cofactor
IAO_0000115: A tightly bound, specific nonpolypeptide unit in a protein determining and involved in its biological activity.
id: CHEBI:26348
has OBO namespace: chebi_ontology
has related synonym: groupe prosthetique
has exact synonym: prosthetic group
has related synonym: prosthetic groups
in subset: 3 STAR

protoporphyrins
type: Class
subclass of: porphyrins
id: CHEBI:26361
has OBO namespace: chebi_ontology
in subset: 1 STAR

pteridines
type: Class
subclass of: organic heterobicyclic compound
subclass of: heteroarene
subclass of: organonitrogen heterocyclic compound
id: CHEBI:26373
has OBO namespace: chebi_ontology
in subset: 3 STAR

pterins
type: Class
subclass of: pteridines
id: CHEBI:26375
has OBO namespace: chebi_ontology
in subset: 3 STAR

purine alkaloid
type: Class
subclass of: alkaloid
subclass of: purines
id: CHEBI:26385
has OBO namespace: chebi_ontology
has related synonym: purine alkaloids
in subset: 3 STAR

purine nucleobase
type: Class
subclass of: nucleobase
subclass of: purines
charge: 0
monoisotopicmass: 119.036
mass: 119.104
IAO_0000115: A nucleobase whose skeleton is derived from purine.
smiles: C1(NC(=NC=2NC=NC12)*)=*
formula: C5H3N4R2
id: CHEBI:26386
has db xref: KEGG:C15587
has related synonym: a purine nucleobase
has OBO namespace: chebi_ontology
has related synonym: purine bases
has exact synonym: purine nucleobase
has related synonym: purine nucleobases
in subset: 3 STAR

purine nucleoside diphosphate
type: Class
subclass of: nucleoside diphosphate
id: CHEBI:26391
has OBO namespace: chebi_ontology
has related synonym: purine nucleoside diphosphates
in subset: 3 STAR

purine nucleoside monophosphate
type: Class
subclass of: nucleoside 5'-monophosphate
id: CHEBI:26392
has OBO namespace: chebi_ontology
has related synonym: purine nucleoside monophosphates
in subset: 3 STAR

purine nucleoside triphosphate
type: Class
subclass of: nucleoside triphosphate
id: CHEBI:26393
has OBO namespace: chebi_ontology
has related synonym: purine nucleoside triphosphates
in subset: 3 STAR

purine nucleoside
type: Class
subclass of: purines
subclass of: nucleoside
id: CHEBI:26394
has OBO namespace: chebi_ontology
has exact synonym: purine nucleoside
has related synonym: purine nucleosides
in subset: 3 STAR

purine nucleotide
type: Class
subclass of: purines
subclass of: nucleotide
IAO_0000115: Any nucleotide that has a purine nucleobase.
id: CHEBI:26395
has OBO namespace: chebi_ontology
has related synonym: purine nucleotides
in subset: 3 STAR

purine ribonucleoside diphosphate
type: Class
subclass of: ribonucleoside diphosphate
subclass of: purine nucleoside diphosphate
id: CHEBI:26396
has OBO namespace: chebi_ontology
has related synonym: purine ribonucleoside diphosphates
in subset: 3 STAR

purine ribonucleoside monophosphate
type: Class
subclass of: purine nucleoside monophosphate
subclass of: ribonucleoside monophosphate
id: CHEBI:26397
has OBO namespace: chebi_ontology
has related synonym: purine ribonucleoside monophosphates
in subset: 3 STAR

purine ribonucleoside triphosphate
type: Class
subclass of: ribonucleoside triphosphate
subclass of: purine nucleoside triphosphate
id: CHEBI:26398
has OBO namespace: chebi_ontology
has related synonym: purine ribonucleoside triphosphates
in subset: 3 STAR

purine ribonucleoside
type: Class
subclass of: ribonucleoside
subclass of: purine nucleoside
smiles: *[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
charge: 0
monoisotopicmass: 133.050
mass: 133.123
IAO_0000115: A ribonucleoside that has a purine moiety as the nucleobase (the R group in the illustration).
formula: C5H9O4R
id: CHEBI:26399
has OBO namespace: chebi_ontology
has related synonym: purine ribonucleosides
in subset: 3 STAR

purine ribonucleotide
type: Class
subclass of: purine nucleotide
subclass of: ribonucleotide
IAO_0000115: Any ribonucleotide that has a purine nucleobase.
id: CHEBI:26400
has OBO namespace: chebi_ontology
has related synonym: purine ribonucleotides
in subset: 3 STAR

purines
type: Class
subclass of: imidazopyrimidine
charge: 0
monoisotopicmass: 116.012
mass: 116.080
IAO_0000115: A class of imidazopyrimidines that consists of purine and its substituted derivatives.
formula: C5N4R7
has alternative id: CHEBI:13678
id: CHEBI:26401
has OBO namespace: chebi_ontology
in subset: 3 STAR

pyridine alkaloid
type: Class
subclass of: alkaloid
subclass of: pyridines
id: CHEBI:26416
has OBO namespace: chebi_ontology
has related synonym: pyridine alkaloids
in subset: 3 STAR

pyridines
type: Class
subclass of: organic heteromonocyclic compound
subclass of: organonitrogen heterocyclic compound
IAO_0000115: Any organonitrogen heterocyclic compound based on a pyridine skeleton and its substituted derivatives.
id: CHEBI:26421
has OBO namespace: chebi_ontology
in subset: 3 STAR

pyrimidine nucleobase
type: Class
subclass of: nucleobase
subclass of: pyrimidines
charge: 0
monoisotopicmass: 77.014
mass: 77.064
IAO_0000115: A nucleobase whose skeleton is derived from pyrimidine.
formula: C4HN2R4
id: CHEBI:26432
smiles: N1C(=C(C(=NC1=*)*)*)*
has related synonym: a pyrimidine nucleobase
has OBO namespace: chebi_ontology
has related synonym: pyrimidine bases
has exact synonym: pyrimidine nucleobase
has related synonym: pyrimidine nucleobases
in subset: 3 STAR

pyrimidinemonocarboxylic acid
type: Class
subclass of: monocarboxylic acid
subclass of: pyrimidinecarboxylic acid
id: CHEBI:26447
has OBO namespace: chebi_ontology
has related synonym: pyrimidinemonocarboxylic acids
in subset: 3 STAR

pyrroles
type: Class
subclass of: azole
IAO_0000115: An azole that includes only one N atom and no other heteroatom as a part of the aromatic skeleton.
id: CHEBI:26455
has OBO namespace: chebi_ontology
in subset: 3 STAR

pyrrolidine alkaloid
type: Class
subclass of: alkaloid
subclass of: pyrrolidines
id: CHEBI:26456
has OBO namespace: chebi_ontology
has related synonym: pyrrolidine alkaloids
in subset: 3 STAR

quaternary nitrogen compound
type: Class
subclass of: organonitrogen compound
subclass of: Restriction
  on property: has part
  some values from: quaternary ammonium ion
IAO_0000115: A nitrogen molecular entity that is electronically neutral but which contains a quaternary nitrogen.
id: CHEBI:26469
has OBO namespace: chebi_ontology
in subset: 3 STAR

quinoline alkaloid
type: Class
subclass of: alkaloid
id: CHEBI:26509
has OBO namespace: chebi_ontology
has related synonym: quinoline alkaloids
in subset: 3 STAR

quinolines
type: Class
subclass of: organic aromatic compound
subclass of: organonitrogen heterocyclic compound
IAO_0000115: A class of aromatic heterocyclic compounds each of which contains a benzene ring ortho fused to carbons 2 and 3 of a pyridine ring.
id: CHEBI:26513
has OBO namespace: chebi_ontology
in subset: 3 STAR

reactive oxygen species
type: Class
subclass of: oxygen molecular entity
id: CHEBI:26523
IAO_0000115: Molecules or ions formed by the incomplete one-electron reduction of oxygen. They contribute to the microbicidal activity of phagocytes, regulation of signal transduction and gene expression, and the oxidative damage to biopolymers.
has related synonym: ROS
has db xref: Wikipedia:Reactive_oxygen_species
has OBO namespace: chebi_ontology
in subset: 3 STAR

retinals
type: Class
subclass of: aldehyde
subclass of: retinoid
id: CHEBI:26534
has OBO namespace: chebi_ontology
in subset: 3 STAR

retinoic acid
type: Class
subclass of: retinoid
subclass of: alpha,beta-unsaturated monocarboxylic acid
charge: 0
has exact synonym: 3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid
monoisotopicmass: 300.209
mass: 300.43512
IAO_0000115: A retinoid consisting of 3,7-dimethylnona-2,4,6,8-tetraenoic acid substituted at position 9 by a 2,6,6-trimethylcyclohex-1-en-1-yl group (geometry of the four exocyclic double bonds is not specified).
formula: C20H28O2
id: CHEBI:26536
inchi: InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)
has db xref: LINCS:LSM-2135
has db xref: PMID:24506204
inchikey: SHGAZHPCJJPHSC-UHFFFAOYSA-N
has OBO namespace: chebi_ontology
in subset: 3 STAR

retinoid
type: Class
subclass of: diterpenoid
id: CHEBI:26537
IAO_0000115: Oxygenated derivatives of 3,7-dimethyl-1-(2,6,6-trimethylcyclohex-1-enyl)nona-1,3,5,7-tetraene and derivatives thereof.
has OBO namespace: chebi_ontology
has exact synonym: retinoid
has related synonym: retinoids
has exact synonym: retinoids
in subset: 3 STAR

ribonucleoside monophosphate
type: Class
subclass of: nucleoside 5'-monophosphate
id: CHEBI:26558
has OBO namespace: chebi_ontology
has related synonym: ribonucleoside monophosphates
in subset: 3 STAR

ribonucleotide
type: Class
subclass of: ribose phosphate
subclass of: nucleotide
id: CHEBI:26561
has OBO namespace: chebi_ontology
has related synonym: ribonucleotides
in subset: 3 STAR

ribose phosphate
type: Class
subclass of: aldopentose phosphate
id: CHEBI:26562
has OBO namespace: chebi_ontology
has exact synonym: ribose phosphate
has related synonym: ribose phosphates
in subset: 3 STAR

saturated fatty acid
type: Class
subclass of: fatty acid
IAO_0000115: Any fatty acid containing no carbon to carbon multiple bonds. Known to produce adverse biological effects when ingested to excess.
id: CHEBI:26607
has db xref: PMID:16492686
has db xref: PMID:19763019
has db xref: PMID:20237329
has related synonym: SFA
has related synonym: SFAs
has OBO namespace: chebi_ontology
has exact synonym: saturated fatty acid
has related synonym: saturated fatty acids
in subset: 3 STAR

semiochemical
type: Class
subclass of: molecular messenger
IAO_0000115: A molecular messenger released by an organism that affects the behaviour within or between species.
id: CHEBI:26645
has db xref: Wikipedia:Semiochemical
has OBO namespace: chebi_ontology
has related synonym: semiochemicals
in subset: 3 STAR

serine family amino acid
type: Class
subclass of: L-alpha-amino acid
subclass of: proteinogenic amino acid
has related synonym: 3-phosphoglycerate family amino acid
has related synonym: 3-phosphoglycerate family amino acids
IAO_0000115: An L-alpha-amino acid which is biosynthesised from 3-phosphoglycerate (i.e. serine, glycine, cysteine and homocysteine). A closed class.
id: CHEBI:26650
has db xref: PMID:20709681
has OBO namespace: chebi_ontology
has related synonym: serine family amino acids
in subset: 3 STAR

short-chain fatty acid
type: Class
subclass of: fatty acid
charge: 0
monoisotopicmass: 30.011
IAO_0000115: An aliphatic monocarboxylic acid with a chain length of less than C6. If any non-hydrocarbon substituent is present, the compound is not normally regarded as a short-chain fatty acid.
formula: CH2OR
id: CHEBI:26666
smiles: OC([*])=O
has db xref: PMID:16633129
has db xref: PMID:16870803
has db xref: PMID:18203540
has db xref: PMID:20148677
has related synonym: SCFA
has related synonym: SCFAs
has OBO namespace: chebi_ontology
has related synonym: short-chain fatty acids
in subset: 3 STAR

sialic acid
type: Class
subclass of: neuraminic acids
IAO_0000115: Any of the N-acylneuraminic acids and their esters and other derivatives of the alcoholic hydroxy groups.
id: CHEBI:26667
has related synonym: Sialsaeure
has related synonym: Sialsaeuren
has related synonym: acide sialique
has related synonym: acides sialique
has OBO namespace: chebi_ontology
has related synonym: sialic acids
in subset: 3 STAR

sodium atom
type: Class
subclass of: alkali metal atom
charge: 0
has related synonym: 11Na
mass: 22.98977
monoisotopicmass: 22.990
has db xref: CAS:7440-23-5
id: CHEBI:26708
has db xref: Gmelin:16221
inchi: InChI=1S/Na
inchikey: KEAYESYHFKHZAL-UHFFFAOYSA-N
has db xref: KEGG:C01330
formula: Na
has related synonym: Na
has related synonym: Natrium
has db xref: WebElements:Na
smiles: [Na]
has OBO namespace: chebi_ontology
has related synonym: natrium
has related synonym: sodio
has exact synonym: sodium
has related synonym: sodium
in subset: 3 STAR

sodium chloride
type: Class
subclass of: inorganic chloride
subclass of: inorganic sodium salt
charge: 0
monoisotopicmass: 57.959
mass: 58.44247
IAO_0000115: An inorganic chloride salt having sodium(1+) as the counterion.
has db xref: Beilstein:3534976
has db xref: CAS:7647-14-5
id: CHEBI:26710
formula: ClNa
inchikey: FAPWRFPIFSIZLT-UHFFFAOYSA-M
has db xref: Gmelin:13673
inchi: InChI=1S/ClH.Na/h1H;/q;+1/p-1
has db xref: KEGG:C13563
has db xref: KEGG:D02056
has related synonym: Kochsalz
has db xref: MetaCyc:NACL
has related synonym: NaCl
has related synonym: Natriumchlorid
has db xref: PPDB:595
has db xref: Reaxys:3534976
has db xref: Wikipedia:Sodium_Chloride
smiles: [Na+].[Cl-]
has OBO namespace: chebi_ontology
has related synonym: chlorure de sodium
has related synonym: cloruro sodico
has related synonym: common salt
has related synonym: halite
has related synonym: natrii chloridum
has related synonym: rock salt
has related synonym: salt
has exact synonym: sodium chloride
has related synonym: table salt
in subset: 3 STAR

sodium molecular entity
type: Class
subclass of: alkali metal molecular entity
subclass of: Restriction
  on property: has part
  some values from: sodium atom
id: CHEBI:26712
has OBO namespace: chebi_ontology
has related synonym: sodium compounds
has related synonym: sodium molecular entities
in subset: 3 STAR

sodium salt
type: Class
subclass of: sodium molecular entity
subclass of: alkali metal salt
subclass of: Restriction
  on property: has part
  some values from: sodium(1+)
IAO_0000115: Any alkali metal salt having sodium(1+) as the cation.
id: CHEBI:26714
has related synonym: Natriumsalz
has related synonym: Natriumsalze
has OBO namespace: chebi_ontology
has related synonym: sodium salts
in subset: 3 STAR

sphingenine
type: Class
subclass of: 2-aminooctadecene-1,3-diol
IAO_0000115: A 2-aminooctadecene-1,3-diol having (2S,3R)-configuration.
formula: C18H37NO2
id: CHEBI:26738
has OBO namespace: chebi_ontology
has related synonym: sphingenines
in subset: 3 STAR

sphingolipid
type: Class
subclass of: lipid
subclass of: organonitrogen compound
subclass of: organooxygen compound
id: CHEBI:26739
IAO_0000115: Sphingolipids are a complex family of compounds that share a common structural feature, a sphingoid base backbone.
has OBO namespace: chebi_ontology
has related synonym: sphingolipids
in subset: 3 STAR

sphing-4-enine
type: Class
subclass of: sphingenine
subclass of: 2-aminooctadec-4-ene-1,3-diol
has exact synonym: (2S,3R)-2-aminooctadec-4-ene-1,3-diol
charge: 0
monoisotopicmass: 299.282
mass: 299.49192
has related synonym: 4-sphingenine
IAO_0000115: A sphingenine in which the C=C double bond is located at the 4-position.
has db xref: Beilstein:7794904
formula: C18H37NO2
id: CHEBI:26743
inchi: InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3/t17-,18+/m0/s1
has db xref: LINCS:LSM-5718
inchikey: WWUZIQQURGPMPG-ZWKOTPCHSA-N
has OBO namespace: chebi_ontology
has exact synonym: sphing-4-enine
in subset: 3 STAR

steroid hormone
type: Class
subclass of: steroid
IAO_0000115: Any steroid that acts as hormone.
id: CHEBI:26764
has related synonym: Steroidhormon
has related synonym: Steroidhormone
has OBO namespace: chebi_ontology
has related synonym: hormona esteroide
has related synonym: hormonas esteroideas
has related synonym: hormone steroide
has related synonym: hormones steroides
has related synonym: steroid hormones
in subset: 3 STAR

carbohydrate phosphate
type: Class
subclass of: organic phosphate
subclass of: phosphoric ester
subclass of: carbohydrate derivative
id: CHEBI:26816
has related synonym: carbohydrate phosphates
has OBO namespace: chebi_ontology
in subset: 3 STAR

sulfuric ester
type: Class
subclass of: ester
subclass of: sulfuric acid derivative
charge: 0
monoisotopicmass: 95.952
mass: 96.06300
IAO_0000115: An ester of an alcohol and sulfuric acid.
id: CHEBI:26819
formula: O4SR2
smiles: [*]OS(=O)(=O)O[*]
has OBO namespace: chebi_ontology
has related synonym: sulfate ester
has related synonym: sulfuric acid ester
has related synonym: sulfuric acid esters
in subset: 3 STAR

sulfates
type: Class
subclass of: sulfuric acid derivative
id: CHEBI:26820
IAO_0000115: Salts and esters of sulfuric acid
has OBO namespace: chebi_ontology
has exact synonym: sulfates
has related synonym: sulfuric acid derivative
has related synonym: sulphates
in subset: 3 STAR

sulfide
type: Class
subclass of: sulfur molecular entity
IAO_0000115: Any sulfur molecular entity that involves either covalently bonded or anionic sulfur.
id: CHEBI:26822
has OBO namespace: chebi_ontology
has related synonym: sulphides
in subset: 3 STAR

sulfoglycolipid
type: Class
subclass of: glycolipid
subclass of: carbohydrate sulfate
subclass of: sulfolipid
IAO_0000115: A sulfate ester of a glycolipid.
id: CHEBI:26829
has OBO namespace: chebi_ontology
has related synonym: sulfoglycolipids
in subset: 3 STAR

sulfonium compound
type: Class
subclass of: sulfur molecular entity
id: CHEBI:26830
has OBO namespace: chebi_ontology
in subset: 1 STAR

sulfur atom
type: Class
subclass of: nonmetal atom
subclass of: chalcogen
charge: 0
has related synonym: 16S
monoisotopicmass: 31.972
mass: 32.06600
has db xref: CAS:7704-34-9
id: CHEBI:26833
has related synonym: Elemental sulfur
inchi: InChI=1S/S
has db xref: KEGG:C00087
has db xref: KEGG:D06527
inchikey: NINIDFKCEFEMDL-UHFFFAOYSA-N
has db xref: PPDB:605
formula: S
has related synonym: S
has related synonym: Schwefel
has db xref: WebElements:S
smiles: [S]
has related synonym: azufre
has OBO namespace: chebi_ontology
has related synonym: soufre
has exact synonym: sulfur
has related synonym: sulfur
has related synonym: sulphur
has related synonym: theion
in subset: 3 STAR

sulfur-containing amino acid
type: Class
subclass of: sulfur-containing carboxylic acid
subclass of: amino acid
id: CHEBI:26834
has OBO namespace: chebi_ontology
has related synonym: sulfur-containing amino acids
in subset: 3 STAR

sulfur molecular entity
type: Class
subclass of: chalcogen molecular entity
subclass of: Restriction
  on property: has part
  some values from: sulfur atom
id: CHEBI:26835
has OBO namespace: chebi_ontology
has related synonym: sulfur molecular entities
has exact synonym: sulfur molecular entity
in subset: 3 STAR

sulfuric acid
type: Class
subclass of: sulfur oxoacid
charge: 0
monoisotopicmass: 97.967
mass: 98.07948
IAO_0000115: A sulfur oxoacid that consits of two oxo and two hydroxy groups joined covalently to a central sulfur atom.
has related synonym: Acide sulfurique
has related synonym: Acido sulfurico
has related synonym: Acidum sulfuricum
has db xref: CAS:7664-93-9
id: CHEBI:26836
has db xref: Gmelin:2122
formula: H2O4S
has related synonym: H2SO4
inchi: InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)
has db xref: KEGG:C00059
has db xref: KEGG:D05963
has db xref: KNApSAcK:C00007530
has db xref: MolBase:4
has db xref: PMID:13568755
has db xref: PMID:16122922
has db xref: PMID:19397353
has db xref: PMID:22047659
has db xref: PMID:22136045
has db xref: PMID:22204399
has db xref: PMID:22267186
has db xref: PMID:22296037
has db xref: PMID:22364556
has db xref: PMID:22435616
has db xref: PPDB:606
inchikey: QAOWNCQODCNURD-UHFFFAOYSA-N
has db xref: Reaxys:2037554
has related synonym: Schwefelsaeureloesungen
has exact synonym: Sulfuric acid
has db xref: Wikipedia:Sulfuric_acid
smiles: [H]OS(=O)(=O)O[H]
has related synonym: [S(OH)2O2]
has related synonym: [SO2(OH)2]
has OBO namespace: chebi_ontology
has exact synonym: dihydrogen tetraoxosulfate
has exact synonym: dihydroxidodioxidosulfur
has exact synonym: hydrogen tetraoxosulfate(2-)
has exact synonym: hydrogen tetraoxosulfate(VI)
has exact synonym: sulfuric acid
has related synonym: sulphuric acid
has exact synonym: tetraoxosulfuric acid
in subset: 3 STAR

terpenoid
type: Class
subclass of: isoprenoid
IAO_0000115: Any isoprenoid that is a natural product or related compound formally derived from isoprene units. Terpenoids may contain oxygen in various functional groups. This class is subdivided according to the number of carbon atoms in the parent terpene. The skeleton of terpenoids may differ from strict additivity of isoprene units by the loss or shift of a fragment, generally a methyl group.
id: CHEBI:26873
has exact synonym: Terpenoid
has db xref: Wikipedia:Terpenoid
has OBO namespace: chebi_ontology
has related synonym: terpenoide
has related synonym: terpenoides
has exact synonym: terpenoids
in subset: 3 STAR

tertiary alcohol
type: Class
subclass of: alcohol
charge: 0
monoisotopicmass: 71.050
mass: 71.09780
IAO_0000115: A tertiary alcohol is a compound in which a hydroxy group, -OH, is attached to a saturated carbon atom which has three other carbon atoms attached to it.
formula: C4H7OR3
id: CHEBI:26878
smiles: OC(C[*])(C[*])C[*]
has OBO namespace: chebi_ontology
has exact synonym: tertiary alcohol
has related synonym: tertiary alcohols
in subset: 3 STAR

tetrahydrofolic acid
type: Class
subclass of: folic acids
IAO_0000115: A group of heterocyclic compounds based on the 5,6,7,8-tetrahydropteroic acid skeleton conjugated with one or more L-glutamic acid units.
id: CHEBI:26907
has OBO namespace: chebi_ontology
has related synonym: tetrahydrofolate
has related synonym: tetrahydrofolates
has related synonym: tetrahydrofolic acids
in subset: 3 STAR

oxolanes
type: Class
subclass of: organic heteromonocyclic compound
subclass of: oxacycle
IAO_0000115: Any oxacycle having an oxolane (tetrahydrofuran) skeleton.
id: CHEBI:26912
has OBO namespace: chebi_ontology
in subset: 3 STAR

tetrapyrrole
type: Class
subclass of: heteroarene
subclass of: polypyrrole
IAO_0000115: A natural pigment containing four pyrrole rings joined by one-carbon units linking position 2 of one pyrrole ring to position 5 of the next.
id: CHEBI:26932
has OBO namespace: chebi_ontology
has exact synonym: tetrapyrrole
has exact synonym: tetrapyrroles
in subset: 3 STAR

tetraterpenoid
type: Class
subclass of: terpenoid
IAO_0000115: Any terpenoid derived from a tetraterpene. The term includes compounds in which the C40 skeleton of the parent tetraterpene has been rearranged or modified by the removal of one or more skeletal atoms (generally methyl groups).
has related synonym: C40 isoprenoids
id: CHEBI:26935
has db xref: LIPID_MAPS_class:LMPR0107
has OBO namespace: chebi_ontology
has related synonym: tetraterpenoides
has exact synonym: tetraterpenoids
in subset: 3 STAR

thiamine
type: Class
subclass of: aminopyrimidine
subclass of: 1,3-thiazoles
id: CHEBI:26948
has OBO namespace: chebi_ontology
has related synonym: thiamines
in subset: 3 STAR

thioacetic acid
type: Class
subclass of: monothiocarboxylic acid
id: CHEBI:26952
has db xref: KEGG:C01857
has related synonym: Thioessigsaeure
has OBO namespace: chebi_ontology
has exact synonym: ethanethioic acid
in subset: 3 STAR

thiocarboxylic ester
type: Class
subclass of: organosulfur compound
subclass of: ester
IAO_0000115: An ester in which one or both oxygens of an ester group have been replaced by divalent sulfur.
id: CHEBI:26959
has OBO namespace: chebi_ontology
has related synonym: thiocarboxylic esters
in subset: 3 STAR

organic heterotricyclic compound
type: Class
subclass of: heterotricyclic compound
subclass of: organic heteropolycyclic compound
subclass of: organic tricyclic compound
IAO_0000115: An organic tricyclic compound in which at least one of the rings of the tricyclic skeleton contains one or more heteroatoms.
id: CHEBI:26979
has OBO namespace: chebi_ontology
has related synonym: heterotricyclic compounds
has related synonym: organic heterotricyclic compounds
in subset: 3 STAR

threitol
type: Class
subclass of: butane-1,2,3,4-tetrol
has related synonym: (R*,R*)-1,2,3,4-butanetetrol
formula: C4H10O4
has db xref: CAS:7493-90-5
id: CHEBI:26981
has db xref: Gmelin:82500
has db xref: PMID:20717558
has OBO namespace: chebi_ontology
has exact synonym: rel-(2R,3R)-butane-1,2,3,4-tetrol
has related synonym: threo-tetritol
in subset: 3 STAR

threonine
type: Class
subclass of: 2-amino-3-hydroxybutanoic acid
subclass of: Restriction
  on property: has part
  some values from: 1-hydroxyethyl group
IAO_0000115: An alpha-amino acid in which one of the hydrogens attached to the alpha-carbon of glycine is substituted by a 1-hydroxyethyl group.
has db xref: Beilstein:8204750
formula: C4H9NO3
has db xref: CAS:80-68-2
id: CHEBI:26986
has db xref: PMID:11379295
has db xref: PMID:15221503
has db xref: PMID:22264337
has related synonym: Threonin
has db xref: Wikipedia:Threonine
has OBO namespace: chebi_ontology
has exact synonym: threonine
in subset: 3 STAR

thromboxane
type: Class
subclass of: prostanoid
IAO_0000115: A class of oxygenated oxane derivatives, originally derived from prostaglandin precursors in platelets, that stimulate aggregation of platelets and constriction of blood vessels.
id: CHEBI:26995
has db xref: LIPID_MAPS_class:LMFA0303
has db xref: Wikipedia:Thromboxane
has OBO namespace: chebi_ontology
has exact synonym: thromboxane
has related synonym: thromboxanes
in subset: 3 STAR

tocopherol
type: Class
subclass of: vitamin E
subclass of: tocol
IAO_0000115: A collective name for a group of closely related lipids that contain a chroman-6-ol nucleus substituted at position 2 by a methyl group and by a saturated hydrocarbon chain consisting of three isoprenoid units. They are designated as alpha-, beta-, gamma-, and delta-tocopherol depending on the number and position of additional methyl substituents on the aromatic ring. Tocopherols occur in vegetable oils and vegetable oil products, almost exclusively with R,R,R configuration. Tocotrienols differ from tocopherols only in having three double bonds in the hydrocarbon chain.
has db xref: CAS:1406-66-2
id: CHEBI:27013
has related synonym: Methyltocols
has exact synonym: Tocopherol
has related synonym: Tocopherols
has db xref: Wikipedia:Tocopherol
has OBO namespace: chebi_ontology
has related synonym: tocoferol
has related synonym: tocoferoles
has exact synonym: tocopherol
has related synonym: tocopherols
in subset: 3 STAR

toluenes
type: Class
subclass of: benzenes
IAO_0000115: Any member of the class of benzenes that is a substituted benzene in which the substituents include one (and only one) methyl group.
id: CHEBI:27024
has OBO namespace: chebi_ontology
in subset: 3 STAR

toxin
type: Class
subclass of: metabolite
subclass of: poison
id: CHEBI:27026
IAO_0000115: Poisonous substance produced by a biological organism such as a microbe, animal or plant.
has db xref: Wikipedia:Toxin
has OBO namespace: chebi_ontology
has exact synonym: toxin
has related synonym: toxins
in subset: 3 STAR

micronutrient
type: Class
subclass of: nutrient
IAO_0000115: Any nutrient required in small quantities by organisms throughout their life in order to orchestrate a range of physiological functions.
id: CHEBI:27027
has db xref: Wikipedia:Micronutrient
has OBO namespace: chebi_ontology
has related synonym: micronutrients
has related synonym: trace elements
in subset: 3 STAR

transition element atom
type: Class
subclass of: metal atom
IAO_0000115: An element whose atom has an incomplete d sub-shell, or which can give rise to cations with an incomplete d sub-shell.
id: CHEBI:27081
has related synonym: Uebergangselement
has related synonym: Uebergangsmetalle
has OBO namespace: chebi_ontology
has related synonym: metal de transicion
has related synonym: metal de transition
has related synonym: metales de transicion
has related synonym: metaux de transition
has related synonym: transition element
has exact synonym: transition element
has related synonym: transition elements
has related synonym: transition metal
has related synonym: transition metals
in subset: 3 STAR

tricarboxylic acid trianion
type: Class
subclass of: tricarboxylic acid anion
subclass of: carboxylic acid trianion
id: CHEBI:27092
has OBO namespace: chebi_ontology
has related synonym: tricarboxylate
has related synonym: tricarboxylates
has related synonym: tricarboxylic acid trianions
in subset: 3 STAR

tricarboxylic acid
type: Class
subclass of: carboxylic acid
IAO_0000115: An oxoacid containing three carboxy groups.
formula: C3H3O6R
id: CHEBI:27093
has related synonym: Tricarbonsaeure
has related synonym: Trikarbonsaeure
has db xref: Wikipedia:Tricarboxylic_acid
has OBO namespace: chebi_ontology
has related synonym: tricarboxylic acids
in subset: 3 STAR

trimethylxanthine
type: Class
subclass of: methylxanthine
id: CHEBI:27134
has OBO namespace: chebi_ontology
has related synonym: trimethylxanthines
in subset: 3 STAR

triol
type: Class
subclass of: polyol
IAO_0000115: A chemical compound containing three hydroxy groups.
id: CHEBI:27136
has OBO namespace: chebi_ontology
has related synonym: triols
in subset: 3 STAR

tryptamines
type: Class
subclass of: indoles
id: CHEBI:27162
IAO_0000115: Tryptamine and its substitution derivatives.
has OBO namespace: chebi_ontology
in subset: 3 STAR

organic heterobicyclic compound
type: Class
subclass of: heterobicyclic compound
subclass of: organic heteropolycyclic compound
id: CHEBI:27171
has OBO namespace: chebi_ontology
has related synonym: heterobicyclic compounds
has related synonym: organic heterobicyclic compounds
in subset: 3 STAR

tyramines
type: Class
subclass of: phenols
subclass of: aralkylamino compound
IAO_0000115: Aralkylamino compounds which contain a tyramine skeleton.
id: CHEBI:27175
has OBO namespace: chebi_ontology
in subset: 3 STAR

univalent carboacyl group
type: Class
subclass of: carboacyl group
IAO_0000115: A univalent carboacyl group is a group formed by loss of OH from the carboxy group of a carboxylic acid.
id: CHEBI:27207
has OBO namespace: chebi_ontology
has related synonym: univalent acyl group
has related synonym: univalent carboacyl groups
has related synonym: univalent carboxylic acyl groups
in subset: 3 STAR

unsaturated fatty acid
type: Class
subclass of: fatty acid
IAO_0000115: Any fatty acid containing at least one C=C or C#C bond.
id: CHEBI:27208
has db xref: LIPID_MAPS_class:LMFA0103
has db xref: PMID:5322381
has related synonym: alkene acid
has OBO namespace: chebi_ontology
has related synonym: olefinic acid
has related synonym: unsaturated fatty acids
in subset: 3 STAR

urate(2-)
type: Class
subclass of: oxopurine
subclass of: urate anion
charge: -2
mass: 166.09454
formula: C5H2N4O3
id: CHEBI:27216
has OBO namespace: chebi_ontology
has related synonym: urate dianion
in subset: 3 STAR

uric acid
type: Class
subclass of: oxopurine
charge: 0
mass: 168.11042
IAO_0000115: An oxopurine that is the final oxidation product of purine metabolism.
formula: C5H4N4O3
id: CHEBI:27226
has db xref: HMDB:HMDB0000289
has db xref: Wikipedia:Uric_acid
has OBO namespace: chebi_ontology
has related synonym: uric acids
in subset: 3 STAR

urocanate
type: Class
subclass of: monocarboxylic acid anion
charge: -1
monoisotopicmass: 137.035
mass: 137.11618
has exact synonym: 3-(1H-imidazol-4-yl)prop-2-enoate
IAO_0000115: An monocarboxylic acid anion that is the conjugate base of urocanic acid.
formula: C6H5N2O2
id: CHEBI:27247
has db xref: ECMDB:ECMDB21396
inchi: InChI=1S/C6H6N2O2/c9-6(10)2-1-5-3-7-4-8-5/h1-4H,(H,7,8)(H,9,10)/p-1
has db xref: KEGG:C00785
inchikey: LOIYMIARKYCTBW-UHFFFAOYSA-M
has db xref: MetaCyc:UROCANATE
smiles: [H]C(=C([H])c1c[nH]cn1)C([O-])=O
has OBO namespace: chebi_ontology
has exact synonym: urocanate
in subset: 3 STAR

urocanic acid
type: Class
subclass of: imidazoles
subclass of: alpha,beta-unsaturated monocarboxylic acid
charge: 0
monoisotopicmass: 138.043
mass: 138.12412
has related synonym: 3-(1H-imidazol-4-yl)-2-propenoic acid
has exact synonym: 3-(1H-imidazol-4-yl)prop-2-enoic acid
has related synonym: 3-imidazol-4-ylacrylic acid
IAO_0000115: An alpha,beta-unsaturated monocarboxylic acid that is prop-2-enoic acid substituted by a 1H-imidazol-4-yl group at position 3. It is a metabolite of hidtidine.
has db xref: Beilstein:8128219
formula: C6H6N2O2
has db xref: CAS:104-98-3
id: CHEBI:27248
has db xref: ECMDB:ECMDB21396
has db xref: HMDB:HMDB0000301
inchi: InChI=1S/C6H6N2O2/c9-6(10)2-1-5-3-7-4-8-5/h1-4H,(H,7,8)(H,9,10)
inchikey: LOIYMIARKYCTBW-UHFFFAOYSA-N
has db xref: MetaCyc:UROCANATE
has db xref: PDBeChem:URO
has db xref: PMID:11669511
has db xref: PMID:24397532
has db xref: PMID:24627570
has db xref: Reaxys:8128219
has db xref: Wikipedia:Urocanic_acid
smiles: [H]C(=C([H])c1c[nH]cn1)C(O)=O
has OBO namespace: chebi_ontology
in subset: 3 STAR

valine
type: Class
subclass of: branched-chain amino acid
subclass of: alpha-amino acid
subclass of: Restriction
  on property: has part
  some values from: isopropyl group
charge: 0
monoisotopicmass: 117.079
mass: 117.14638
has related synonym: 2-amino-3-methylbutanoic acid
IAO_0000115: A branched-chain amino acid that consists of glycine in which one of the hydrogens attached to the alpha-carbon is substituted by an isopropyl group.
has db xref: Beilstein:506689
formula: C5H11NO2
has db xref: CAS:516-06-3
smiles: CC(C)C(N)C(O)=O
id: CHEBI:27266
has related synonym: DL-valine
has db xref: Gmelin:49877
has related synonym: Hval
inchi: InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)
has db xref: KEGG:C16436
inchikey: KZSNJWFQEVHDMF-UHFFFAOYSA-N
has db xref: PMID:17190852
has db xref: PMID:22770225
has db xref: Reaxys:506689
has related synonym: Valin
has db xref: Wikipedia:Valine
has OBO namespace: chebi_ontology
has related synonym: valina
has exact synonym: valine
in subset: 3 STAR

vitamin D
type: Class
subclass of: hydroxy seco-steroid
id: CHEBI:27300
has related synonym: D vitamins
IAO_0000115: Vitamin D is a group of fat-soluble prohormones, which can be obtained from sun exposure, food and supplements. Vitamin D is biologically inactive and converted to the biologically active calcitriol via double hydroxylation in the body.
has OBO namespace: chebi_ontology
in subset: 3 STAR

volatile oil component
type: Class
subclass of: metabolite
IAO_0000115: Any metabolite that is found naturally as a component of a volatile oil.
id: CHEBI:27311
has db xref: Wikipedia:Essential_oil
has OBO namespace: chebi_ontology
has related synonym: essential oil component
has related synonym: essential oil components
has related synonym: ethereal oil component
has related synonym: ethereal oil components
has related synonym: volatile oil components
in subset: 3 STAR

water-soluble vitamin
type: Class
subclass of: vitamin
id: CHEBI:27314
has OBO namespace: chebi_ontology
has related synonym: wasserloesliche Vitamine
has related synonym: water-soluble vitamins
in subset: 3 STAR

xanthophyll
type: Class
subclass of: carotenoid
IAO_0000115: A subclass of carotenoids consisting of the oxygenated carotenes.
id: CHEBI:27325
has db xref: DrugBank:DB00137
has OBO namespace: chebi_ontology
has exact synonym: xanthophylls
has related synonym: xanthophylls
in subset: 3 STAR

zinc atom
type: Class
subclass of: zinc group element atom
charge: 0
has related synonym: 30Zn
monoisotopicmass: 63.929
mass: 65.39000
has db xref: CAS:7440-66-6
id: CHEBI:27363
has db xref: Gmelin:16321
inchikey: HCHKCACWOHOZIP-UHFFFAOYSA-N
inchi: InChI=1S/Zn
has db xref: KEGG:C00038
has db xref: PDBeChem:ZN
has db xref: WebElements:Zn
has related synonym: Zink
has related synonym: Zn
formula: Zn
has related synonym: Zn(II)
has related synonym: Zn2+
smiles: [Zn]
has OBO namespace: chebi_ontology
has related synonym: cinc
has related synonym: zinc
has exact synonym: zinc
has related synonym: zincum
in subset: 3 STAR

zinc molecular entity
type: Class
subclass of: zinc group molecular entity
subclass of: Restriction
  on property: has part
  some values from: zinc atom
id: CHEBI:27364
has OBO namespace: chebi_ontology
has related synonym: zinc compounds
has related synonym: zinc molecular entities
in subset: 3 STAR

zwitterion
type: Class
subclass of: dipolar compound
IAO_0000115: A neutral compound having formal unit electrical charges of opposite sign on non-adjacent atoms. Sometimes referred to as inner salts, dipolar ions (a misnomer).
id: CHEBI:27369
has OBO namespace: chebi_ontology
has related synonym: compose zwitterionique
has related synonym: compuestos zwitterionicos
has exact synonym: zwitterion
has related synonym: zwitteriones
has related synonym: zwitterionic compounds
has exact synonym: zwitterions
in subset: 3 STAR

methanesulfonic acid
type: Class
subclass of: alkanesulfonic acid
subclass of: one-carbon compound
charge: 0
monoisotopicmass: 95.988
mass: 96.10666
inchikey: AFVFQIVMOAPDHO-UHFFFAOYSA-N
IAO_0000115: An alkanesulfonic acid in which the alkyl group directly linked to the sulfo functionality is methyl.
has db xref: Beilstein:1446024
has db xref: CAS:75-75-2
formula: CH4O3S
id: CHEBI:27376
has alternative id: CHEBI:6813
smiles: CS(O)(=O)=O
has db xref: Gmelin:1681
inchi: InChI=1S/CH4O3S/c1-5(2,3)4/h1H3,(H,2,3,4)
has db xref: KEGG:C11145
has db xref: MetaCyc:CPD-3746
has exact synonym: Methanesulfonic acid
has related synonym: Methansulfonsaeure
has db xref: PMID:24304088
has db xref: PMID:24593036
has db xref: Reaxys:1446024
has db xref: Wikipedia:Methanesulfonic_acid
has OBO namespace: chebi_ontology
has exact synonym: methanesulfonic acid
has related synonym: methylsulfonic acid
in subset: 3 STAR

3-aminoisobutyric acid
type: Class
subclass of: beta-amino acid
charge: 0
monoisotopicmass: 103.063
mass: 103.11980
has related synonym: 2-(aminomethyl)propionic acid
has related synonym: 2-Methyl-beta-alanine
has related synonym: 3-Amino-2-methylpropanoate
has related synonym: 3-Aminoisobutanoate
has related synonym: 3-Aminoisobutanoic acid
has exact synonym: 3-amino-2-methylpropanoic acid
has exact synonym: 3-aminoisobutyric acid
IAO_0000115: A beta-amino-acid that is isobutyric acid in which one of the methyl hydrogens is substituted by an amino group.
has related synonym: BAIB
has db xref: Beilstein:1720958
has db xref: Beilstein:1745458
formula: C4H9NO2
has db xref: CAS:10569-72-9
has db xref: CAS:144-90-1
smiles: CC(CN)C(O)=O
has alternative id: CHEBI:18712
has alternative id: CHEBI:19959
id: CHEBI:27389
has alternative id: CHEBI:359
has related synonym: DL-beta-aminoisobutyric acid
has db xref: Gmelin:1520758
has db xref: HMDB:HMDB0003911
inchi: InChI=1S/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7)
has db xref: KEGG:C05145
has db xref: MetaCyc:3-AMINO-ISOBUTYRATE
has db xref: PMID:11785300
has db xref: PMID:14576092
has db xref: PMID:18299183
has db xref: PMID:18600547
has db xref: PMID:19186330
has db xref: PMID:19735301
has db xref: PMID:22735334
has db xref: PMID:2274753
has db xref: PMID:5776546
has db xref: PMID:639325
has db xref: PMID:8307374
inchikey: QCHPKSFMDHPSNR-UHFFFAOYSA-N
has db xref: Reaxys:1720958
has db xref: Wikipedia:3-Aminoisobutyric_acid
has related synonym: alpha-Methyl-beta-alanine
has related synonym: bAib
has related synonym: beta-aminoisobutyric acid
has OBO namespace: chebi_ontology
in subset: 3 STAR

folic acid
type: Class
subclass of: folic acids
subclass of: N-acyl-amino acid
charge: 0
monoisotopicmass: 441.140
mass: 441.39750
IAO_0000115: An N-acyl-amino acid that is a form of the water-soluble vitamin B9. Its biologically active forms (tetrahydrofolate and others) are essential for nucleotide biosynthesis and homocysteine remethylation.
has db xref: Beilstein:100781
formula: C19H19N7O6
has db xref: CAS:59-30-3
has alternative id: CHEBI:24075
id: CHEBI:27470
has alternative id: CHEBI:42610
has alternative id: CHEBI:5140
has alternative id: CHEBI:569217
has db xref: DrugBank:DB00158
has db xref: Drug_Central:1231
has exact synonym: FOLIC ACID
has related synonym: Folate
has exact synonym: Folic acid
has related synonym: Folsaeure
inchi: InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t12-/m0/s1
has db xref: KEGG:C00504
has db xref: KEGG:D00070
has db xref: KNApSAcK:C00001539
has db xref: LINCS:LSM-5355
has db xref: MetaCyc:CPD-12826
has exact synonym: N-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoyl)-L-glutamic acid
has related synonym: N-[(4-{[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino}phenyl)carbonyl]-L-glutamic acid
has related synonym: N-pteroyl-L-glutamic acid
inchikey: OVBPIULPVIDEAO-LBPRGKRZSA-N
has db xref: PDBeChem:FOL
has related synonym: PGA
has db xref: PMID:11261364
has db xref: PMID:11451208
has db xref: PMID:14387833
has db xref: PMID:15754725
has db xref: PMID:17784727
has db xref: PMID:18788725
has db xref: PMID:19355913
has db xref: PMID:24650098
has db xref: PMID:9040515
has related synonym: PteGlu
has related synonym: Pteroylglutamic acid
has db xref: Reaxys:100781
has db xref: Wikipedia:Folic_Acid
has OBO namespace: chebi_ontology
has related synonym: pteroyl-L-glutamic acid
has related synonym: pteroyl-L-monoglutamic acid
has related synonym: vitamin Bc
has related synonym: vitamin M
in subset: 3 STAR

zeaxanthin
type: Class
subclass of: carotenol
has exact synonym: (3R,3'R)-beta,beta-carotene-3,3'-diol
has related synonym: (3R,3'R)-dihydroxy-beta,beta-carotene
charge: 0
monoisotopicmass: 568.428
mass: 568.87144
has db xref: Beilstein:2068416
formula: C40H56O2
has db xref: CAS:144-68-3
has alternative id: CHEBI:10108
has alternative id: CHEBI:27361
id: CHEBI:27547
inchikey: JKQXZKUSFCKOGQ-QAYBQHTQSA-N
has db xref: KEGG:C06098
has db xref: KNApSAcK:C00000931
has db xref: LIPID_MAPS_instance:LMPR01070261
has db xref: MetaCyc:CPD1F-130
has db xref: Wikipedia:Zeaxanthin
has exact synonym: Zeaxanthin
has related synonym: all-trans-beta-carotene-3,3'-diol
has related synonym: all-trans-zeaxanthin
has related synonym: anchovyxanthin
has related synonym: beta,beta-carotene-3,3'-diol
has OBO namespace: chebi_ontology
in subset: 3 STAR

selenium atom
type: Class
subclass of: nonmetal atom
subclass of: chalcogen
charge: 0
has related synonym: 34Se
mass: 78.96000
monoisotopicmass: 79.917
inchikey: BUGBHKTXTAQXES-UHFFFAOYSA-N
has db xref: CAS:7782-49-2
has alternative id: CHEBI:26627
id: CHEBI:27568
has alternative id: CHEBI:9091
inchi: InChI=1S/Se
has db xref: KEGG:C01529
has related synonym: Se
formula: Se
has related synonym: Selen
has related synonym: Selenium
has db xref: WebElements:Se
smiles: [Se]
has OBO namespace: chebi_ontology
has related synonym: selenio
has related synonym: selenium
has exact synonym: selenium
in subset: 3 STAR

histidine
type: Class
subclass of: imidazoles
subclass of: alpha-amino acid
subclass of: aromatic amino acid
subclass of: Restriction
  on property: has part
  some values from: 1H-imidazol-4-ylmethyl group
charge: 0
monoisotopicmass: 155.069
mass: 155.15468
has exact synonym: 2-amino-3-(1H-imidazol-4-yl)propanoic acid
IAO_0000115: An alpha-amino acid that is propanoic acid bearing an amino substituent at position 2 and a 1H-imidazol-4-yl group at position 3.
has db xref: Beilstein:84087
formula: C6H9N3O2
has db xref: CAS:4998-57-6
has alternative id: CHEBI:24598
id: CHEBI:27570
has alternative id: CHEBI:43118
has alternative id: CHEBI:5733
has related synonym: DL-Histidine
has db xref: Gmelin:3656
inchikey: HNDVDQJCIGZPNO-UHFFFAOYSA-N
has related synonym: Histidin
has exact synonym: Histidine
inchi: InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)
has db xref: KEGG:C00768
has db xref: KNApSAcK:C00001363
smiles: NC(Cc1c[nH]cn1)C(O)=O
has db xref: PMID:17190852
has db xref: PMID:22264337
has db xref: PMID:22770225
has db xref: PMID:29286160
has db xref: Reaxys:84087
has db xref: Wikipedia:Histidine
has related synonym: alpha-Amino-1H-imidazole-4-propionic acid
has OBO namespace: chebi_ontology
has related synonym: histidina
has exact synonym: histidine
in subset: 3 STAR

aldosterone
type: Class
subclass of: steroid aldehyde
subclass of: primary alpha-hydroxy ketone
subclass of: mineralocorticoid
subclass of: 21-hydroxy steroid
subclass of: 11beta-hydroxy steroid
subclass of: 20-oxo steroid
subclass of: 18-oxo steroid
subclass of: 3-oxo-Delta(4) steroid
subclass of: C21-steroid hormone
has related synonym: (+)-aldosterone
has related synonym: (11beta)-11,21-dihydroxy-3,20-dioxopregn-4-en-18-al
charge: 0
has related synonym: 11beta,21-Dihydroxy-3,20-dioxo-4-pregnen-18-al
has exact synonym: 11beta,21-dihydroxy-3,20-dioxopregn-4-en-18-al
monoisotopicmass: 360.194
mass: 360.44400
IAO_0000115: A pregnane-based steroidal hormone produced by the outer-section (zona glomerulosa) of the adrenal cortex in the adrenal gland, and acts on the distal tubules and collecting ducts of the kidney to cause the conservation of sodium, secretion of potassium, increased water retention, and increased blood pressure. The overall effect of aldosterone is to increase reabsorption of ions and water in the kidney.
has exact synonym: ALDOSTERONE
has exact synonym: Aldosterone
has db xref: Beilstein:3224996
formula: C21H28O5
has db xref: CAS:52-39-1
has alternative id: CHEBI:22306
has alternative id: CHEBI:2563
id: CHEBI:27584
has alternative id: CHEBI:40919
has db xref: DrugBank:DB04630
has db xref: Drug_Central:111
has db xref: HMDB:HMDB0000037
inchi: InChI=1S/C21H28O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,11,14-17,19,22,25H,2-7,9-10H2,1H3/t14-,15-,16+,17-,19+,20-,21+/m0/s1
has db xref: KEGG:C01780
has db xref: LINCS:LSM-42770
has db xref: LIPID_MAPS_instance:LMST02030026
has db xref: PDBeChem:AS4
has db xref: PMID:10438974
inchikey: PQSUYGKTWSAVDQ-ZVIOFETBSA-N
has db xref: Reaxys:3224996
has db xref: Wikipedia:Aldosterone
has exact synonym: aldosterone
has OBO namespace: chebi_ontology
in subset: 3 STAR

carbon atom
type: Class
subclass of: nonmetal atom
subclass of: carbon group element atom
charge: 0
monoisotopicmass: 12.000
mass: 12.01070
has related synonym: 6C
formula: C
has related synonym: C
has db xref: CAS:7440-44-0
has alternative id: CHEBI:23009
id: CHEBI:27594
has alternative id: CHEBI:3399
has related synonym: Carbon
inchi: InChI=1S/C
has db xref: KEGG:C06265
has related synonym: Kohlenstoff
inchikey: OKTJSMMVPCPJKN-UHFFFAOYSA-N
has db xref: WebElements:C
smiles: [C]
has related synonym: carbon
has exact synonym: carbon
has related synonym: carbone
has related synonym: carbonium
has related synonym: carbono
has OBO namespace: chebi_ontology
in subset: 3 STAR

hydantoin
type: Class
subclass of: imidazolidine-2,4-dione
charge: 0
monoisotopicmass: 100.027
mass: 100.07614
has related synonym: 2,4(3H,5H)-imidazoledione
has related synonym: 2,4-imidazolidinedione
has db xref: Beilstein:110598
formula: C3H4N2O2
has db xref: CAS:461-72-3
has alternative id: CHEBI:24625
id: CHEBI:27612
has alternative id: CHEBI:5773
has related synonym: Glycolylurea
has db xref: Gmelin:101266
has exact synonym: Hydantoin
inchi: InChI=1S/C3H4N2O2/c6-2-1-4-3(7)5-2/h1H2,(H2,4,5,6,7)
has db xref: KEGG:C05146
smiles: O=C1CNC(=O)N1
has db xref: PDBeChem:HYN
inchikey: WJRBRSLFGCUECM-UHFFFAOYSA-N
has OBO namespace: chebi_ontology
has related synonym: imidazole-2,4(3H,5H)-dione
has exact synonym: imidazolidine-2,4-dione
in subset: 3 STAR

vanillylmandelate
type: Class
subclass of: hydroxy monocarboxylic acid anion
charge: -1
monoisotopicmass: 197.045
mass: 197.16480
has exact synonym: 2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetate
has related synonym: 3-Methoxy-4-hydroxymandelate
IAO_0000115: A hydroxy monocarboxylic acid anion that is the conjugate base of vanillylmandelic acid.
formula: C9H9O5
inchikey: CGQCWMIAEPEHNQ-UHFFFAOYSA-M
has alternative id: CHEBI:1573
has alternative id: CHEBI:20105
id: CHEBI:27622
smiles: COc1cc(ccc1O)C(O)C([O-])=O
inchi: InChI=1S/C9H10O5/c1-14-7-4-5(2-3-6(7)10)8(11)9(12)13/h2-4,8,10-11H,1H3,(H,12,13)/p-1
has db xref: KEGG:C05584
has OBO namespace: chebi_ontology
has related synonym: vanilmandelate
in subset: 3 STAR

cobalt atom
type: Class
subclass of: cobalt group element atom
subclass of: metal allergen
charge: 0
has related synonym: 27Co
monoisotopicmass: 58.933
mass: 58.93320
IAO_0000115: A cobalt group element atom that has atomic number 27.
has db xref: CAS:7440-48-4
has alternative id: CHEBI:23335
id: CHEBI:27638
has alternative id: CHEBI:3788
has related synonym: Co
formula: Co
has related synonym: Cobalt
inchikey: GUTLYIVDDKVIGB-UHFFFAOYSA-N
inchi: InChI=1S/Co
has db xref: KEGG:C00175
has db xref: KEGG:C19171
has related synonym: Kobalt
has db xref: PDBeChem:3CO
has db xref: WebElements:Co
smiles: [Co]
has OBO namespace: chebi_ontology
has related synonym: cobalt
has exact synonym: cobalt
has related synonym: cobalto
has related synonym: cobaltum
in subset: 3 STAR

3',5'-cyclic dGMP
type: Class
subclass of: 3',5'-cyclic purine nucleotide
has alternative id: CHEBI:1330
has alternative id: CHEBI:19832
id: CHEBI:27682
has OBO namespace: chebi_ontology
in subset: 1 STAR

caffeine
type: Class
subclass of: purine alkaloid
subclass of: trimethylxanthine
charge: 0
has related synonym: 1,3,7-Trimethylxanthine
has related synonym: 1,3,7-trimethyl-2,6-dioxopurine
has exact synonym: 1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
has related synonym: 1,3,7-trimethylpurine-2,6-dione
has related synonym: 1,3,7-trimethylxanthine
has related synonym: 1-methyltheobromine
monoisotopicmass: 194.080
mass: 194.19076
has related synonym: 3,7-Dihydro-1,3,7-trimethyl-1H-purin-2,6-dion
has related synonym: 7-methyltheophylline
IAO_0000115: A trimethylxanthine in which the three methyl groups are located at positions 1, 3, and 7. A purine alkaloid that occurs naturally in tea and coffee.
has db xref: Beilstein:17705
formula: C8H10N4O2
has exact synonym: CAFFEINE
has db xref: CAS:58-08-2
has alternative id: CHEBI:22982
id: CHEBI:27732
has alternative id: CHEBI:3295
has alternative id: CHEBI:41472
has exact synonym: Caffeine
smiles: Cn1cnc2n(C)c(=O)n(C)c(=O)c12
has related synonym: Coffein
has db xref: DrugBank:DB00201
has db xref: Drug_Central:463
has db xref: Gmelin:103040
has db xref: HMDB:HMDB0001847
inchi: InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
has db xref: KEGG:C07481
has db xref: KEGG:D00528
has db xref: KNApSAcK:C00001492
has related synonym: Koffein
has db xref: LINCS:LSM-2026
has db xref: MetaCyc:1-3-7-TRIMETHYLXANTHINE
has db xref: PDBeChem:CFF
has db xref: PMID:10510174
has db xref: PMID:10796597
has db xref: PMID:10803761
has db xref: PMID:10822912
has db xref: PMID:10884512
has db xref: PMID:10924888
has db xref: PMID:10983026
has db xref: PMID:11014293
has db xref: PMID:11022879
has db xref: PMID:11209966
has db xref: PMID:11312039
has db xref: PMID:11410911
has db xref: PMID:11431501
has db xref: PMID:11815511
has db xref: PMID:11949272
has db xref: PMID:12397877
has db xref: PMID:12457274
has db xref: PMID:12574990
has db xref: PMID:12915014
has db xref: PMID:12943586
has db xref: PMID:14521986
has db xref: PMID:14607010
has db xref: PMID:15257305
has db xref: PMID:15280431
has db xref: PMID:15681408
has db xref: PMID:15718055
has db xref: PMID:15840517
has db xref: PMID:16143823
has db xref: PMID:16391865
has db xref: PMID:16528931
has db xref: PMID:16644114
has db xref: PMID:16709440
has db xref: PMID:16805851
has db xref: PMID:16856769
has db xref: PMID:17132260
has db xref: PMID:17387608
has db xref: PMID:17508167
has db xref: PMID:17724925
has db xref: PMID:17932622
has db xref: PMID:17957400
has db xref: PMID:18068204

detergent
type: Class
subclass of: application
subclass of: surfactant
IAO_0000115: A surfactant (or a mixture containing one or more surfactants) having cleaning properties in dilute solutions.
has alternative id: CHEBI:23648
id: CHEBI:27780
has alternative id: CHEBI:4456
has related synonym: Detergents
has db xref: KEGG:C01689
has OBO namespace: chebi_ontology
has exact synonym: detergent
in subset: 3 STAR

(S)-colchicine
type: Class
subclass of: alkaloid
subclass of: colchicine
has related synonym: (S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl)acetamide
charge: 0
monoisotopicmass: 399.168
mass: 399.43700
has related synonym: 7alphaH-colchicine
has db xref: Beilstein:2228813
formula: C22H25NO6
has db xref: CAS:64-86-8
id: CHEBI:27882
has alternative id: CHEBI:3811
has related synonym: Colchicin
has related synonym: Colchicine
has db xref: DrugBank:DB01394
has db xref: Drug_Central:726
inchikey: IAKHMKGGTNLKSZ-INIZCTEOSA-N
inchi: InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1
has db xref: KEGG:C07592
has db xref: KEGG:D00570
has db xref: KNApSAcK:C00002327
has db xref: LINCS:LSM-5199
has exact synonym: N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide
has db xref: PDBeChem:LOC
has db xref: Wikipedia:Colchicine
has OBO namespace: chebi_ontology
has related synonym: colchicina
has related synonym: colchicinum
in subset: 3 STAR

tryptophan
type: Class
subclass of: alpha-amino acid
subclass of: aromatic amino acid
subclass of: aminoalkylindole
subclass of: Restriction
  on property: has part
  some values from: 1H-indol-3-ylmethyl group
charge: 0
has related synonym: 2-amino-3-(1H-indol-3-yl)propanoic acid
monoisotopicmass: 204.090
mass: 204.22526
IAO_0000115: An alpha-amino acid that is alanine bearing an indol-3-yl substituent at position 3.
has db xref: Beilstein:86196
formula: C11H12N2O2
has db xref: CAS:54-12-6
has alternative id: CHEBI:27163
id: CHEBI:27897
has alternative id: CHEBI:9769
has db xref: Gmelin:4532
has related synonym: Htrp
inchi: InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)
has db xref: KEGG:C00806
has db xref: KNApSAcK:C00001396
has db xref: LINCS:LSM-36836
smiles: NC(Cc1c[nH]c2ccccc12)C(O)=O
has db xref: PMID:17439666
has db xref: PMID:22264337
inchikey: QIVBCDIJIAJPQS-UHFFFAOYSA-N
has db xref: Reaxys:86196
has related synonym: Trp
has exact synonym: Tryptophan
has related synonym: W
has db xref: Wikipedia:Tryptophan
has related synonym: alpha-Amino-beta-(3-indolyl)-propionic acid
has related synonym: alpha-amino-beta-3-indolepropionic acid
has related synonym: beta-3-indolylalanine
has OBO namespace: chebi_ontology
has related synonym: triptofano
has exact synonym: tryptophan
has related synonym: tryptophane
in subset: 3 STAR

cyanic acid
type: Class
subclass of: pseudohalogen oxoacid
subclass of: one-carbon compound
charge: 0
monoisotopicmass: 43.006
mass: 43.02478
has db xref: Beilstein:1732479
has db xref: CAS:420-05-3
has db xref: CAS:71000-82-3
has alternative id: CHEBI:23422
id: CHEBI:28024
has alternative id: CHEBI:3968
formula: CHNO
has exact synonym: Cyanic acid
has related synonym: Cyansaeure
has db xref: Gmelin:839
has related synonym: HOCN
inchi: InChI=1S/CHNO/c2-1-3/h3H
has db xref: KEGG:C01417
smiles: OC#N
inchikey: XLJMAIOERFSOGZ-UHFFFAOYSA-N
has related synonym: Zyansaeure
has related synonym: [C(N)OH]
has OBO namespace: chebi_ontology
has exact synonym: hydrogen nitridooxocarbonate
has exact synonym: hydroxidonitridocarbon
has exact synonym: nitridooxocarbonic acid
in subset: 3 STAR

phenylalanine
type: Class
subclass of: alpha-amino acid
subclass of: aromatic amino acid
subclass of: Restriction
  on property: has part
  some values from: benzyl group
charge: 0
monoisotopicmass: 165.079
mass: 165.18918
has exact synonym: 2-amino-3-phenylpropanoic acid
IAO_0000115: An aromatic amino acid that is alanine in which one of the methyl hydrogens is substituted by a phenyl group.
has db xref: Beilstein:1910407
formula: C9H11NO2
has db xref: CAS:150-30-1
has alternative id: CHEBI:25984
id: CHEBI:28044
has alternative id: CHEBI:8089
inchikey: COLNVLDHVKWLRT-UHFFFAOYSA-N
has related synonym: DL-Phenylalanine
has related synonym: F
has db xref: Gmelin:50836
inchi: InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)
has db xref: KEGG:C02057
smiles: NC(Cc1ccccc1)C(O)=O
has related synonym: PHE
has db xref: PMID:17439666
has db xref: PMID:22264337
has related synonym: Phenylalanin
has exact synonym: Phenylalanine
has db xref: Reaxys:1910407
has db xref: Wikipedia:Phenylalanine
has related synonym: alpha-Amino-beta-phenylpropionic acid
has OBO namespace: chebi_ontology
has related synonym: fenilalanina
has exact synonym: phenylalanine
in subset: 3 STAR

glycogen
type: Class
subclass of: glycogens
IAO_0000115: A polydisperse, highly branched glucan composed of chains of D-glucopyranose residues in alpha(1->4) glycosidic linkage, joined together by alpha(1->6) glycosidic linkages. A small number of alpha(1->3) glycosidic linkages and some cumulative alpha(1->6) links also may occur. The branches in glycogen typically contain 8 to 12 glucose residues.
has db xref: CAS:9005-79-2
has alternative id: CHEBI:24379
id: CHEBI:28087
has alternative id: CHEBI:5466
has exact synonym: Glycogen
has db xref: KEGG:C00182
has related synonym: animal starch
has OBO namespace: chebi_ontology
has related synonym: liver starch
in subset: 3 STAR

methylcobalamin
type: Class
subclass of: alkylcob(III)alamin
subclass of: cobalamins
charge: 0
monoisotopicmass: 1343.588
mass: 1344.38230
formula: C63H91CoN13O14P
has db xref: CAS:13422-55-4
has alternative id: CHEBI:25291
id: CHEBI:28115
has alternative id: CHEBI:48831
has alternative id: CHEBI:6869
has related synonym: CO-METHYLCOBALAMIN
has db xref: COMe:MOL000085
has exact synonym: Coalpha-[alpha-(5,6-dimethylbenzimidazolyl)]-Cobeta-methylcobamide
has db xref: DrugBank:DB03614
has db xref: Gmelin:124528
inchikey: JEWJRMKHSMTXPP-WZHZPDAFSA-L
has db xref: KEGG:C06453
has db xref: KEGG:D03246
has related synonym: MeCbl
has exact synonym: Methylcobalamin
has db xref: PDBeChem:COB
has OBO namespace: chebi_ontology
has related synonym: mecobalamin
has related synonym: methylcob(III)alamin
has exact synonym: methylcobalamin
in subset: 3 STAR

galactose
type: Class
subclass of: aldohexose
IAO_0000115: An aldohexose that is the C-4 epimer of glucose.
formula: C6H12O6
has db xref: CAS:26566-61-0
has alternative id: CHEBI:24162
id: CHEBI:28260
has alternative id: CHEBI:33933
has alternative id: CHEBI:5256
has related synonym: Gal
has exact synonym: Galactose
has related synonym: Galaktose
has db xref: KEGG:C01582
has db xref: Wikipedia:Galactose
has OBO namespace: chebi_ontology
has exact synonym: galacto-hexose
has exact synonym: galactose
in subset: 3 STAR

glutamine
type: Class
subclass of: alpha-amino acid
subclass of: Restriction
  on property: has part
  some values from: 3-amino-3-oxopropyl group
charge: 0
monoisotopicmass: 146.069
mass: 146.14458
has related synonym: 2,5-diamino-5-oxopentanoic acid
has related synonym: 2-Aminoglutaramic acid
has related synonym: 2-amino-4-carbamoylbutanoic acid
IAO_0000115: An alpha-amino acid that consists of butyric acid bearing an amino substituent at position 2 and a carbamoyl substituent at position 4.
has db xref: Beilstein:1723795
formula: C5H10N2O3
has db xref: CAS:585-21-7
has db xref: CAS:6899-04-3
has alternative id: CHEBI:24316
id: CHEBI:28300
has alternative id: CHEBI:5432
has related synonym: Glutamin
has exact synonym: Glutamine
has related synonym: Glutaminsaeure-5-amid
has db xref: Gmelin:27318
has related synonym: Hgln
inchi: InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)
has db xref: KEGG:C00303
has db xref: KNApSAcK:C00001359
smiles: NC(CCC(N)=O)C(O)=O
has db xref: Reaxys:1723795
has db xref: Wikipedia:Glutamine
inchikey: ZDXPYRJPNDTMRX-UHFFFAOYSA-N
has OBO namespace: chebi_ontology
has related synonym: glutamic acid gamma-amide
has exact synonym: glutamine
in subset: 3 STAR

rac-lactic acid
type: Class
subclass of: racemate
subclass of: Restriction
  on property: has part
  some values from: (R)-lactic acid
subclass of: Restriction
  on property: has part
  some values from: (S)-lactic acid
has related synonym: (+-)-2-hydroxypropanoic acid
charge: 0
has related synonym: 2-Hydroxypropanoic acid
has related synonym: 2-Hydroxypropionic acid
IAO_0000115: A racemate comprising equimolar amounts of (R)- and (S)-lactic acid.
has db xref: Beilstein:1209341
smiles: C(=O)([C@@H](O)C)O.C(=O)([C@H](O)C)O
formula: C3H6O3
has db xref: CAS:50-21-5
has alternative id: CHEBI:24998
id: CHEBI:28358
has alternative id: CHEBI:6351
has db xref: DrugBank:DB04398
has related synonym: E270
inchi: InChI=1S/2C3H6O3/c2*1-2(4)3(5)6/h2*2,4H,1H3,(H,5,6)/t2*2-/m10/s1
has db xref: KEGG:C01432
has db xref: KEGG:D00111
inchikey: KVZLHPXEUGJPAH-QNDGGIRCSA-N
has db xref: LIPID_MAPS_instance:LMFA01050002
has related synonym: Lactic acid
has related synonym: Milchsaeure
has db xref: PMID:17190852
has db xref: PMID:29079364
has db xref: Reaxys:1209341
has db xref: Wikipedia:Lactic_acid
has related synonym: alpha-hydroxypropanoic acid
has related synonym: alpha-hydroxypropionic acid
has OBO namespace: chebi_ontology
has exact synonym: rac-2-hydroxypropanoic acid
in subset: 3 STAR

alpha,omega-dicarboxylic acid
type: Class
subclass of: dicarboxylic acid
has alternative id: CHEBI:10197
has alternative id: CHEBI:13780
has alternative id: CHEBI:22361
id: CHEBI:28383
has db xref: KEGG:C04025
has related synonym: alpha(omega)-Dicarboxylic acid
has exact synonym: alpha,omega-Dicarboxylic acid
has related synonym: alpha,omega-dicarboxylic acids
has OBO namespace: chebi_ontology
in subset: 3 STAR

vitamin K
type: Class
subclass of: mixture
subclass of: Restriction
  on property: has part
  some values from: phylloquinone
subclass of: Restriction
  on property: has part
  some values from: menaquinone
subclass of: Restriction
  on property: has part
  some values from: menadione
IAO_0000115: A fat-soluble vitamin required for the synthesis of prothrombin and certain other blood coagulation factors.
has db xref: CAS:12001-79-5
has alternative id: CHEBI:10009
has alternative id: CHEBI:27301
has alternative id: CHEBI:27307
id: CHEBI:28384
has db xref: KEGG:C01628
has exact synonym: Vitamin K
has OBO namespace: chebi_ontology
has related synonym: vitamine K
in subset: 3 STAR

alpha-carotene
type: Class
subclass of: carotenoid beta-end group
subclass of: cyclic carotene
charge: 0
monoisotopicmass: 536.438
mass: 536.87264
IAO_0000115: A cyclic carotene with a beta- and an epsilon-ring at opposite ends respectively.
inchikey: ANVAOWXLWRTKGA-JLTXGRSLSA-N
has db xref: Beilstein:2067408
has db xref: Beilstein:3227599
formula: C40H56
has db xref: CAS:432-70-2
smiles: CC(\C=C\C=C(C)\C=C\C1C(C)=CCCC1(C)C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C
has alternative id: CHEBI:10215
has alternative id: CHEBI:22447
id: CHEBI:28425
has db xref: HMDB:HMDB0003993
has db xref: KEGG:C05433
has db xref: KNApSAcK:C00003765
has db xref: LIPID_MAPS_instance:LMPR01070258
has db xref: PMID:23620017
has db xref: PMID:24169341
has db xref: PMID:9408998
has db xref: Reaxys:2682045
has related synonym: all-trans-alpha-carotene
has exact synonym: alpha-Carotene
has exact synonym: alpha-carotene
has exact synonym: beta,epsilon-carotene
has OBO namespace: chebi_ontology
in subset: 3 STAR

carbamic acid
type: Class
subclass of: organonitrogen compound
subclass of: carbon oxoacid
subclass of: one-carbon compound
charge: 0
monoisotopicmass: 61.016
mass: 61.04006
IAO_0000115: A one-carbon compound that is ammonia in which one of the hydrogens is replaced by a carboxy group. Although carbamic acid derivatives are common, carbamic acid itself has never been synthesised.
has related synonym: Aminoameisensaeure
has related synonym: Aminoformic acid
has db xref: Beilstein:1734754
has exact synonym: CARBAMIC ACID
has db xref: CAS:463-77-4
formula: CH3NO2
has alternative id: CHEBI:22504
has alternative id: CHEBI:23002
id: CHEBI:28616
has alternative id: CHEBI:3386
has alternative id: CHEBI:44573
has related synonym: Carbamate
has exact synonym: Carbamic acid
has related synonym: Carbamidsaeure
has db xref: DrugBank:DB04261
has db xref: Gmelin:130345
inchi: InChI=1S/CH3NO2/c2-1(3)4/h2H2,(H,3,4)
has db xref: KEGG:C01563
inchikey: KXDHJXZQYSOELW-UHFFFAOYSA-N
smiles: NC(O)=O
has db xref: PDBeChem:OUT
has db xref: Wikipedia:Carbamic_acid
has exact synonym: carbamic acid
has OBO namespace: chebi_ontology
in subset: 3 STAR

phosphorus atom
type: Class
subclass of: nonmetal atom
subclass of: pnictogen
charge: 0
has related synonym: 15P
mass: 30.97376
monoisotopicmass: 30.974
has db xref: CAS:7723-14-0
has alternative id: CHEBI:26080
id: CHEBI:28659
has alternative id: CHEBI:8168
has db xref: Gmelin:16235
inchi: InChI=1S/P
has db xref: KEGG:C06262
inchikey: OAICVXFJPJFONN-UHFFFAOYSA-N
has related synonym: P
formula: P
has related synonym: Phosphor
has related synonym: Phosphorus
has db xref: WebElements:P
smiles: [P]
has OBO namespace: chebi_ontology
has related synonym: fosforo
has related synonym: phosphore
has exact synonym: phosphorus
has related synonym: phosphorus
in subset: 3 STAR

neopterin
type: Class
subclass of: neopterins
has alternative id: CHEBI:25499
id: CHEBI:28670
has alternative id: CHEBI:44294
has alternative id: CHEBI:7511
has OBO namespace: chebi_ontology
in subset: 1 STAR

molybdenum atom
type: Class
subclass of: chromium group element atom
charge: 0
has related synonym: 42Mo
mass: 95.94000
monoisotopicmass: 97.905
has db xref: CAS:7439-98-7
has alternative id: CHEBI:25369
id: CHEBI:28685
has alternative id: CHEBI:49750
has alternative id: CHEBI:6968
has db xref: Gmelin:16205
inchi: InChI=1S/Mo
has db xref: KEGG:C00150
formula: Mo
has related synonym: Mo
has related synonym: Molybdaen
has related synonym: Molybdenum
has db xref: WebElements:Mo
inchikey: ZOKXTWBITQBERF-UHFFFAOYSA-N
smiles: [Mo]
has OBO namespace: chebi_ontology
has related synonym: molibdeno
has related synonym: molybdene
has related synonym: molybdenum
has exact synonym: molybdenum
in subset: 3 STAR

dehydroepiandrosterone
type: Class
subclass of: 3beta-hydroxy-Delta(5)-steroid
subclass of: 17-oxo steroid
subclass of: androstanoid
charge: 0
monoisotopicmass: 288.209
mass: 288.42440
has related synonym: 3-BETA-HYDROXY-5-ANDROSTEN-17-ONE
has related synonym: 3beta-Hydroxyandrost-5-en-17-one
has related synonym: 3beta-hydroxyandrost-5-en-17-one
has exact synonym: 3beta-hydroxyandrost-5-en-17-one
IAO_0000115: An androstanoid that is androst-5-ene substituted by a beta-hydroxy group at position 3 and an oxo group at position 17. It is a naturally occurring steroid hormone produced by the adrenal glands.
formula: C19H28O2
has db xref: CAS:53-43-0
has alternative id: CHEBI:11911
has alternative id: CHEBI:1723
has alternative id: CHEBI:20246
id: CHEBI:28689
has alternative id: CHEBI:40738
has alternative id: CHEBI:86953
has related synonym: DHA
has related synonym: DHEA
has exact synonym: Dehydroepiandrosterone
has related synonym: Dehydroisoandrosterone
has db xref: DrugBank:DB01708
has db xref: Drug_Central:795
inchikey: FMGSKLZLMKYGDP-USOAJAOKSA-N
has db xref: HMDB:HMDB0000077
inchi: InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-16,20H,4-11H2,1-2H3/t13-,14-,15-,16-,18-,19-/m0/s1
has related synonym: Intrarosa
has db xref: KEGG:C01227
has db xref: KEGG:D08409
has db xref: LIPID_MAPS_instance:LMST02020021
has db xref: MetaCyc:3-BETA-HYDROXYANDROST-5-EN-17-ONE
has db xref: PDBeChem:AND
has db xref: PMID:14662261
has db xref: PMID:18634257
has db xref: PMID:24256992
has db xref: PMID:24424045
has related synonym: Prasterone
has db xref: Reaxys:2058110
has db xref: Wikipedia:Dehydroepiandrosterone
has OBO namespace: chebi_ontology
in subset: 3 STAR

copper atom
type: Class
subclass of: copper group element atom
charge: 0
has related synonym: 29Cu
monoisotopicmass: 62.930
mass: 63.54600
has db xref: CAS:7440-50-8
has alternative id: CHEBI:23376
id: CHEBI:28694
has alternative id: CHEBI:3874
has related synonym: Copper
formula: Cu
has related synonym: Cu
has db xref: Gmelin:16269
inchi: InChI=1S/Cu
has db xref: KEGG:C00070
has related synonym: Kupfer
inchikey: RYGMFSIKBFXOCR-UHFFFAOYSA-N
has db xref: WebElements:Cu
smiles: [Cu]
has OBO namespace: chebi_ontology
has related synonym: cobre
has exact synonym: copper
has related synonym: copper
has related synonym: cuivre
has related synonym: cuprum
in subset: 3 STAR

fructose
type: Class
subclass of: ketohexose
IAO_0000115: A ketohexose that is an isomer of glucose.
has db xref: CAS:30237-26-4
has alternative id: CHEBI:24104
has alternative id: CHEBI:24110
id: CHEBI:28757
has alternative id: CHEBI:5172
has db xref: DrugBank:DB04173
has related synonym: Fru
has related synonym: Fruchtzucker
has exact synonym: Fructose
has related synonym: Fruktose
has db xref: KEGG:C01496
has db xref: Wikipedia:Fructose
has related synonym: arabino-Hexulose
has exact synonym: arabino-hex-2-ulose
has OBO namespace: chebi_ontology
has exact synonym: fructose
in subset: 3 STAR

L-glucitol
type: Class
subclass of: glucitol
has related synonym: (2R,3S,4S,5S)-hexane-1,2,3,4,5,6-hexol
charge: 0
monoisotopicmass: 182.079
mass: 182.17176
has db xref: Beilstein:1721906
formula: C6H14O6
has db xref: CAS:6706-59-8
has alternative id: CHEBI:21394
id: CHEBI:28789
has alternative id: CHEBI:6223
has related synonym: D-Gulitol
has related synonym: D-gulitol
has db xref: ECMDB:ECMDB00247
inchikey: FBPFZTCFMRRESA-FSIIMWSLSA-N
has db xref: Gmelin:648560
inchi: InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6-/m0/s1
has db xref: KEGG:C01722
has exact synonym: L-Glucitol
has related synonym: L-Sorbitol
has exact synonym: L-glucitol
has related synonym: L-sorbitol
has db xref: MetaCyc:CPD-12810
smiles: OC[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO
has db xref: PMID:19695255
has db xref: Reaxys:1721906
IAO_0000115: The L-enantiomer of glucitol.
has db xref: YMDB:YMDB00724
has OBO namespace: chebi_ontology
in subset: 3 STAR

serotonin
type: Class
subclass of: monoamine molecular messenger
subclass of: tryptamines
subclass of: phenols
subclass of: primary amino compound
subclass of: hydroxyindoles
charge: 0
monoisotopicmass: 176.095
mass: 176.215
has related synonym: 3-(2-Aminoethyl)-1H-indol-5-ol
has exact synonym: 3-(2-aminoethyl)-1H-indol-5-ol
has related synonym: 5-HT
has related synonym: 5-Hydroxytryptamine
IAO_0000115: A primary amino compound that is the 5-hydroxy derivative of tryptamine.
has db xref: Beilstein:143524
formula: C10H12N2O
smiles: C1=CC(=CC=2C(=CNC12)CCN)O
has db xref: CAS:50-67-9
has alternative id: CHEBI:1420
has alternative id: CHEBI:26652
id: CHEBI:28790
has alternative id: CHEBI:49894
has related synonym: Enteramine
has db xref: Gmelin:1861995
has db xref: HMDB:HMDB0000259
inchi: InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
has db xref: KEGG:C00780
has db xref: KNApSAcK:C00001429
has db xref: LINCS:LSM-6589
has db xref: MetaCyc:SEROTONIN
has db xref: PDBeChem:SRO
has db xref: PMID:18593914
has db xref: PMID:22770225
has db xref: PMID:24136337
inchikey: QZAYGJVTTNCVMB-UHFFFAOYSA-N
has db xref: Reaxys:143524
has exact synonym: SEROTONIN
has exact synonym: Serotonin
has db xref: Wikipedia:Serotonin
has OBO namespace: chebi_ontology
has related synonym: serotonine
has related synonym: thrombocytin
has related synonym: thrombotonin
in subset: 3 STAR

heparan sulfate
type: Class
subclass of: heparan sulfates
formula: (C12H19NO20S3)n
charge: 0
IAO_0000115: A linear polysaccharide in which the backbone consists of a variably sulfated repeating disaccharide unit.
has db xref: Beilstein:8186767
has db xref: CAS:9050-30-0
has alternative id: CHEBI:24502
has alternative id: CHEBI:24507
id: CHEBI:28815
has alternative id: CHEBI:5661
has related synonym: Heparan N-sulfate
has exact synonym: Heparan sulfate
has related synonym: Heparan sulphate
has related synonym: Heparatan sulfate
has related synonym: Heparin monosulfate
has related synonym: Heparin sulfate
has related synonym: Heparitin monosulfate
has related synonym: Heparitin sulfate
has db xref: KEGG:C00925
has db xref: KEGG:D08536
has related synonym: N-Acetylheparan sulfate
has db xref: PMID:8713797
has OBO namespace: chebi_ontology
in subset: 3 STAR

lutein
type: Class
subclass of: carotenol
has exact synonym: (3R,3'R,6'R)-beta,epsilon-carotene-3,3'-diol
has related synonym: (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL
charge: 0
monoisotopicmass: 568.428
mass: 568.87144
has db xref: Beilstein:2068550
has related synonym: Bo-Xan
formula: C40H56O2
has db xref: CAS:127-40-2
has alternative id: CHEBI:27324
id: CHEBI:28838
has alternative id: CHEBI:43817
has alternative id: CHEBI:6576
has db xref: DrugBank:DB00137
has db xref: Drug_Central:4145
has related synonym: E 161b
has db xref: HMDB:HMDB0003233
inchikey: KBPHJBAIARWVSC-RGZFRNHPSA-N
has db xref: KEGG:C08601
has db xref: KNApSAcK:C00003776
has db xref: LIPID_MAPS_instance:LMPR01070274
has exact synonym: Lutein
has db xref: MetaCyc:CPD1F-119
has db xref: PDBeChem:LUT
has db xref: PMID:10714278
has db xref: PMID:14670087
has db xref: PMID:23543147
has db xref: PMID:24451312
has db xref: Reaxys:2068550
has db xref: Wikipedia:Lutein
has related synonym: Xanthophyll
has OBO namespace: chebi_ontology
has exact synonym: lutein
in subset: 3 STAR

5alpha-androstane
type: Class
subclass of: androstane
charge: 0
monoisotopicmass: 260.250
mass: 260.45738
has exact synonym: 5alpha-Androstane
has exact synonym: 5alpha-androstane
has related synonym: Androstane
has db xref: Beilstein:2043119
formula: C19H32
has db xref: CAS:438-22-2
has alternative id: CHEBI:20638
has alternative id: CHEBI:2712
id: CHEBI:28859
inchi: InChI=1S/C19H32/c1-18-11-5-7-16(18)15-9-8-14-6-3-4-12-19(14,2)17(15)10-13-18/h14-17H,3-13H2,1-2H3/t14-,15+,16+,17+,18+,19+/m1/s1
has db xref: KEGG:C01554
has db xref: LIPID_MAPS_instance:LMST02020056
has db xref: PMID:13749674
inchikey: QZLYKIGBANMMBK-UGCZWRCOSA-N
IAO_0000115: The 5alpha-stereoisomer of androstane.
has OBO namespace: chebi_ontology
in subset: 3 STAR

fatty acid anion
type: Class
subclass of: lipid
subclass of: monocarboxylic acid anion
charge: -1
monoisotopicmass: 43.990
mass: 44.00950
has related synonym: Alkanate
has alternative id: CHEBI:13634
has alternative id: CHEBI:24022
id: CHEBI:28868
has alternative id: CHEBI:4985
formula: CO2R
has exact synonym: Fatty acid anion
has related synonym: Fettsaeureanion
has related synonym: Fettsaeureanionen
has db xref: KEGG:C02403
has db xref: PMID:18628202
IAO_0000115: The conjugate base of a fatty acid, arising from deprotonation of the carboxylic acid group of the corresponding fatty acid.
smiles: [O-]C([*])=O
has related synonym: a fatty acid
has related synonym: acido graso anionico
has related synonym: acidos grasos anionicos
has related synonym: anion de l'acide gras
has OBO namespace: chebi_ontology
has related synonym: fatty acid anions
in subset: 3 STAR

menadione
type: Class
subclass of: 1,4-naphthoquinones
charge: 0
monoisotopicmass: 172.052
mass: 172.18002
has related synonym: 2-Methyl-1,4-naphthochinon
has related synonym: 2-Methyl-1,4-naphthoquinone
has related synonym: 2-methyl-1,4-naphthalenedione
has exact synonym: 2-methylnaphthalene-1,4-dione
IAO_0000115: A member of the class of 1,4-naphthoquinones that is 1,4-naphthoquinone which is substituted at position 2 by a methyl group. It is used as a nutritional supplement and for the treatment of hypoprothrombinemia.
formula: C11H8O2
has db xref: CAS:58-27-5
smiles: CC1=CC(=O)c2ccccc2C1=O
has alternative id: CHEBI:27304
id: CHEBI:28869
has alternative id: CHEBI:46306
has alternative id: CHEBI:6747
has db xref: DrugBank:DB00170
has db xref: Drug_Central:1683
has db xref: HMDB:HMDB0001892
inchi: InChI=1S/C11H8O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6H,1H3
has db xref: KEGG:C05377
has db xref: KEGG:D02335
has db xref: LINCS:LSM-3755
has exact synonym: MENADIONE
inchikey: MJVAVZPDRWSRRC-UHFFFAOYSA-N
has exact synonym: Menadione
has db xref: PDBeChem:VK3
has db xref: PMID:13779073
has db xref: PMID:15052609
has db xref: PMID:16469140
has db xref: PMID:1650428
has db xref: PMID:28166217
has db xref: PMID:9380028
has db xref: Reaxys:1908453
has related synonym: Vitamin K3
has db xref: Wikipedia:Menadione
has OBO namespace: chebi_ontology
has exact synonym: menadione
in subset: 3 STAR

tetradecanoic acid
type: Class
subclass of: long-chain fatty acid
subclass of: straight-chain saturated fatty acid
charge: 0
has related synonym: 1-tetradecanecarboxylic acid
has related synonym: 14
has related synonym: 14:0
has related synonym: 14:00
monoisotopicmass: 228.209
mass: 228.37090
IAO_0000115: A straight-chain, fourteen-carbon, long-chain saturated fatty acid mostly found in milk fat.
has db xref: Beilstein:508624
has related synonym: C14
formula: C14H28O2
has db xref: CAS:544-63-8
smiles: CCCCCCCCCCCCCC(O)=O
has related synonym: CH3-[CH2]12-COOH
has alternative id: CHEBI:26897
has alternative id: CHEBI:278516
id: CHEBI:28875
has alternative id: CHEBI:44232
has alternative id: CHEBI:7056
has alternative id: CHEBI:73168
has db xref: DrugBank:DB08231
has db xref: Gmelin:242115
has db xref: HMDB:HMDB0000806
inchi: InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)
has db xref: KEGG:C06424
has db xref: KNApSAcK:C00001228
has db xref: LIPID_MAPS_instance:LMFA01010014
has related synonym: MYRISTIC ACID
has db xref: MetaCyc:CPD-7836
has related synonym: Myristic acid
has related synonym: Myristinsaeure
has db xref: PDBeChem:MYR
has db xref: PMID:13129458
has db xref: PMID:15149689
has db xref: PMID:16509590
has db xref: PMID:16554156
has db xref: PMID:19154695
has db xref: PMID:19761868
has db xref: PMID:19786012
has db xref: PMID:19902021
has db xref: PMID:19955401
has db xref: PMID:20634506
has db xref: PMID:20920594
has db xref: PMID:21955528
has db xref: PMID:22030224
has db xref: PMID:27206979
has db xref: PMID:28600633
has db xref: PMID:6802973
has db xref: Reaxys:508624
inchikey: TUNFSRHWOTWDNC-UHFFFAOYSA-N
has exact synonym: Tetradecanoic acid
has db xref: Wikipedia:Myristic_acid
has related synonym: acide tetradecanoique
has OBO namespace: chebi_ontology
has exact synonym: myristic acid
has related synonym: n-Tetradecan-1-oic acid
has related synonym: n-Tetradecoic acid
has related synonym: n-tetradecanoic acid
has related synonym: tetradecoic acid
in subset: 3 STAR

ganglioside
type: Class
subclass of: ceramide
subclass of: acidic glycosphingolipid
IAO_0000115: A molecule composed of a glycosphingolipid (ceramide and oligosaccharide) with one or more sialic acids linked on the sugar chain.
has alternative id: CHEBI:26669
id: CHEBI:28892
has alternative id: CHEBI:36525
has alternative id: CHEBI:5274
has exact synonym: Ganglioside
has db xref: KEGG:C01808
has db xref: LIPID_MAPS_class:LMSP0601
has db xref: PMID:16158191
has db xref: PMID:2088646
has db xref: Wikipedia:Ganglioside
has OBO namespace: chebi_ontology
has related synonym: gangliosides
has exact synonym: sialoglycosphingolipids
in subset: 3 STAR

ammonium
type: Class
subclass of: nitrogen hydride
subclass of: ammonium ion
subclass of: onium cation
subclass of: monovalent inorganic cation
charge: +1
monoisotopicmass: 18.034
mass: 18.03850
has related synonym: AMMONIUM ION
has related synonym: Ammonium(1+)
IAO_0000115: An onium cation obtained by protonation of ammonia.
has db xref: CAS:14798-03-9
has alternative id: CHEBI:22534
id: CHEBI:28938
has alternative id: CHEBI:49783
has alternative id: CHEBI:7435
has db xref: Gmelin:84
formula: H4N
inchi: InChI=1S/H3N/h1H3/p+1
has db xref: KEGG:C01342
has db xref: MetaCyc:AMMONIUM
has db xref: MolBase:929
has related synonym: NH4(+)
has related synonym: NH4+
has db xref: PDBeChem:NH4
has db xref: PMID:11319011
has db xref: PMID:11341317
has db xref: PMID:12096804
has db xref: PMID:14512268
has db xref: PMID:14879753
has db xref: PMID:16345391
has db xref: PMID:16903292
has db xref: PMID:17392693
has db xref: PMID:18515490
has db xref: PMID:19199063
has db xref: PMID:19596600
has db xref: PMID:19682559
has db xref: PMID:19716251
has db xref: PMID:21993530
has db xref: PMID:22265469
has db xref: PMID:22524020
has db xref: PMID:22562341
has db xref: PMID:22631217
inchikey: QGZKDVFQNNGYKY-UHFFFAOYSA-O
has db xref: Reaxys:16093784
has db xref: Wikipedia:Ammonium
smiles: [H][N+]([H])([H])[H]
has related synonym: [NH4](+)
has exact synonym: ammonium
has exact synonym: azanium
has OBO namespace: chebi_ontology
in subset: 3 STAR

calciol
type: Class
subclass of: steroid hormone
subclass of: secondary alcohol
subclass of: seco-cholestane
subclass of: hydroxy seco-steroid
subclass of: D3 vitamins
has related synonym: (+)-vitamin D3
has related synonym: (1S,3Z)-3-[(2E)-2-[(1R,3AR,7AS)-7A-METHYL-1-[(2R)-6-METHYLHEPTAN-2-YL]-2,3,3A,5,6,7-HEXAHYDRO-1H-INDEN-4-YLIDENE]ETHYLIDENE]-4-METHYLIDENE-CYCLOHEXAN-1-OL
has exact synonym: (3S,5Z,7E)-9,10-secocholesta-5,7,10(19)-trien-3-ol
has related synonym: (3beta,5Z,7E)-9,10-secocholesta-5,7,10(19)-trien-3-ol
has related synonym: (5Z,7E)-(3S)-9,10-secocholesta-5,7,10(19)-trien-3-ol
charge: 0
monoisotopicmass: 384.339
mass: 384.63766
IAO_0000115: A hydroxy seco-steroid that is (5Z,7E)-9,10-secocholesta-5,7,10(19)-triene in which the pro-S hydrogen at position 3 has been replaced by a hydroxy group. It is the inactive form of vitamin D3, being hydroxylated in the liver to calcidiol (25-hydroxyvitamin D3), which is then further hydroxylated in the kidney to give calcitriol (1,25-dihydroxyvitamin D3), the active hormone.
has db xref: Beilstein:2339331
formula: C27H44O
has db xref: CAS:67-97-0
has related synonym: CC
has alternative id: CHEBI:10008
has alternative id: CHEBI:23170
id: CHEBI:28940
has alternative id: CHEBI:46283
has related synonym: Cholecalciferol
has related synonym: Delta-D
has db xref: DrugBank:DB00169
has db xref: Drug_Central:2840
has db xref: Gmelin:1267613
has db xref: HMDB:HMDB0000876
inchi: InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13-/t21-,24+,25-,26+,27-/m1/s1
has db xref: KEGG:C05443
has db xref: KEGG:D00188
has db xref: LIPID_MAPS_instance:LMST03020000
has db xref: LIPID_MAPS_instance:LMST03020001
has db xref: PDBeChem:VD3
has db xref: PMID:15876428
has db xref: PMID:17156784
has db xref: PMID:19817701
has db xref: PMID:23964472
has db xref: PMID:9627702
has db xref: PPDB:160
inchikey: QYSXJUFSXHHAJI-YRZJJWOYSA-N
has db xref: Reaxys:2339331
has related synonym: Vitamin D3
has db xref: Wikipedia:Cholecalciferol
smiles: [H][C@@]1(CC[C@]2([H])[C@]1(C)CCC\C2=C/C=C1/C[C@@H](O)CCC1=C)[C@H](C)CCCC(C)C
has related synonym: activated 7-dehydrocholesterol
has exact synonym: calciol
has OBO namespace: chebi_ontology
has related synonym: colecalciferol
has related synonym: oleovitamin D3
has related synonym: vitamin D3
in subset: 3 STAR

amino sugar
type: Class
subclass of: carbohydrate derivative
has related synonym: Aminosugars
IAO_0000115: Any sugar having one or more alcoholic hydroxy groups replaced by substituted or unsubstituted amino groups.
has alternative id: CHEBI:22481
has alternative id: CHEBI:22530
has alternative id: CHEBI:2662
id: CHEBI:28963
has db xref: KEGG:C05383
has db xref: PMID:18424273
has db xref: PMID:9056391
has related synonym: amino sugars
has related synonym: aminosugar
has OBO namespace: chebi_ontology
in subset: 3 STAR

dicarboxylic acid dianion
type: Class
subclass of: dicarboxylic acid anion
subclass of: carboxylic acid dianion
charge: -2
monoisotopicmass: 87.980
IAO_0000115: A carboxylic acid dianion obtained by deprotonation of both carboxy groups of any dicarboxylic acid.
formula: C2O4R
has alternative id: CHEBI:13632
has alternative id: CHEBI:23688
has alternative id: CHEBI:23689
id: CHEBI:28965
has alternative id: CHEBI:38711
smiles: [O-]C(=O)[*]C([O-])=O
has related synonym: a dicarboxylate
has OBO namespace: chebi_ontology
has related synonym: dicarboxylate
has related synonym: dicarboxylates
has exact synonym: dicarboxylic acid dianion
has related synonym: dicarboxylic acid dianions
in subset: 3 STAR

carbonic acid
type: Class
subclass of: carbon oxoacid
subclass of: chalcocarbonic acid
charge: 0
monoisotopicmass: 62.000
mass: 62.02478
inchikey: BVKZGUZCCUSVTD-UHFFFAOYSA-N
has db xref: CAS:463-79-6
formula: CH2O3
has alternative id: CHEBI:13351
has alternative id: CHEBI:23017
has alternative id: CHEBI:23744
id: CHEBI:28976
has alternative id: CHEBI:3401
has exact synonym: Carbonic acid
has related synonym: Dihydrogen carbonate
has db xref: Gmelin:25554
has related synonym: H2CO3
inchi: InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)
has db xref: KEGG:C01353
has related synonym: Koehlensaeure
smiles: OC(O)=O
has db xref: PDBeChem:CO3
has related synonym: [CO(OH)2]
has exact synonym: carbonic acid
has OBO namespace: chebi_ontology
has exact synonym: dihydroxidooxidocarbon
in subset: 3 STAR

arginine
type: Class
subclass of: guanidines
subclass of: alpha-amino acid
subclass of: Restriction
  on property: has part
  some values from: 3-carbamimidamidopropyl group
charge: 0
monoisotopicmass: 174.112
mass: 174.20112
has related synonym: 2-Amino-5-guanidinovaleric acid
has related synonym: 2-amino-5-(carbamimidamido)pentanoic acid
has related synonym: 2-amino-5-guanidinopentanoic acid
IAO_0000115: An alpha-amino acid that is glycine in which the alpha-is substituted by a 3-guanidinopropyl group.
has related synonym: Arginin
has exact synonym: Arginine
has db xref: Beilstein:1725411
formula: C6H14N4O2
has db xref: CAS:7200-25-1
has alternative id: CHEBI:22616
has alternative id: CHEBI:2643
id: CHEBI:29016
has related synonym: Harg
inchi: InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)
has db xref: KEGG:C02385
smiles: NC(CCCNC(N)=N)C(O)=O
inchikey: ODKSFYDXXFIFQN-UHFFFAOYSA-N
has db xref: PMID:10848923
has db xref: Reaxys:1725411
has db xref: Wikipedia:L-Arginine
has exact synonym: arginine
has OBO namespace: chebi_ontology
in subset: 3 STAR

keratan
type: Class
subclass of: glycosaminoglycan
has alternative id: CHEBI:14490
has alternative id: CHEBI:24954
id: CHEBI:29057
has OBO namespace: chebi_ontology
in subset: 1 STAR

carboxylic acid anion
type: Class
subclass of: organic anion
subclass of: oxoanion
charge: -1
monoisotopicmass: 43.990
mass: 44.00950
has alternative id: CHEBI:13626
has alternative id: CHEBI:13945
has alternative id: CHEBI:23026
id: CHEBI:29067
has alternative id: CHEBI:58657
formula: CO2R
IAO_0000115: The conjugate base formed when the carboxy group of a carboxylic acid is deprotonated.
smiles: [O-]C([*])=O
has related synonym: a carboxylate
has related synonym: carboxylic acid anions
has related synonym: carboxylic anions
has OBO namespace: chebi_ontology
in subset: 3 STAR

L-ascorbic acid
type: Class
subclass of: ascorbic acid
has exact synonym: (5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyfuran-2(5H)-one
charge: 0
monoisotopicmass: 176.032
mass: 176.12410
has related synonym: ASCORBIC ACID
has related synonym: Ascoltin
has related synonym: Ascorbic acid
has related synonym: Ascorbicap
has related synonym: Ascorbinsaeure
has db xref: BPDB:2405
has db xref: Beilstein:84272
formula: C6H8O6
has db xref: CAS:50-81-7
has alternative id: CHEBI:21240
has alternative id: CHEBI:2868
id: CHEBI:29073
has alternative id: CHEBI:40892
has alternative id: CHEBI:43473
inchikey: CIWBSHSKHKDKBQ-JLAZNSOCSA-N
has db xref: DrugBank:DB00126
has db xref: Drug_Central:4072
has related synonym: E 300
has related synonym: E-300
has related synonym: E300
has db xref: Gmelin:4087
has db xref: HMDB:HMDB0000044
inchi: InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1
has db xref: KEGG:C00072
has db xref: KEGG:D00018
has db xref: KNApSAcK:C00001179
has related synonym: L-(+)-ascorbic acid
has related synonym: L-Ascorbate
has exact synonym: L-Ascorbic acid
has exact synonym: L-threo-hex-2-enono-1,4-lactone
has db xref: MetaCyc:ASCORBATE
has db xref: PDBeChem:ASC
has db xref: PMID:12569111
has db xref: PMID:15949874
has db xref: PMID:17253561
has db xref: PMID:17636648
has db xref: PMID:18813862
has db xref: PMID:19273781
has db xref: PMID:19692922
has db xref: PMID:22770225
has db xref: PMID:491997
has db xref: PMID:9506998
has db xref: Reaxys:84272
IAO_0000115: The L-enantiomer of ascorbic acid and conjugate acid of L-ascorbate.
has related synonym: Vitamin C
has db xref: Wikipedia:Ascorbic_Acid
smiles: [H][C@@]1(OC(=O)C(O)=C1O)[C@@H](O)CO
has related synonym: acide ascorbique
has related synonym: acido ascorbico
has related synonym: acidum ascorbicum
has related synonym: acidum ascorbinicum
has related synonym: ascorbic acid
has OBO namespace: chebi_ontology
in subset: 3 STAR

mononucleotide
type: Class
subclass of: nucleotide
charge: 0
monoisotopicmass: 213.016
mass: 213.103
formula: C5H10O7PR
has alternative id: CHEBI:14616
has alternative id: CHEBI:25404
id: CHEBI:29075
has alternative id: CHEBI:6983
has db xref: KEGG:C02171
has exact synonym: Mononucleotide
has OBO namespace: chebi_ontology
has related synonym: mononucleotides
in subset: 3 STAR

sodium(1+)
type: Class
subclass of: monoatomic monocation
subclass of: alkali metal cation
subclass of: elemental sodium
subclass of: monovalent inorganic cation
charge: +1
mass: 22.98977
monoisotopicmass: 22.990
IAO_0000115: A monoatomic monocation obtained from sodium.
has db xref: CAS:17341-25-2
has alternative id: CHEBI:26717
id: CHEBI:29101
has alternative id: CHEBI:49766
has alternative id: CHEBI:9175
inchikey: FKNQFGJONOIPTF-UHFFFAOYSA-N
has db xref: Gmelin:15196
inchi: InChI=1S/Na/q+1
has db xref: KEGG:C01330
formula: Na
has related synonym: Na(+)
has related synonym: Na+
has db xref: PDBeChem:NA
has related synonym: SODIUM ION
smiles: [Na+]
has OBO namespace: chebi_ontology
has exact synonym: sodium cation
has exact synonym: sodium(1+)
has exact synonym: sodium(1+) ion
has exact synonym: sodium(I) cation
in subset: 3 STAR

potassium(1+)
type: Class
subclass of: monoatomic monocation
subclass of: alkali metal cation
subclass of: elemental potassium
subclass of: monovalent inorganic cation
charge: +1
monoisotopicmass: 38.964
mass: 39.09830
IAO_0000115: A monoatomic monocation obtained from potassium.
has db xref: CAS:24203-36-9
has alternative id: CHEBI:26219
id: CHEBI:29103
has alternative id: CHEBI:49685
has alternative id: CHEBI:8345
has db xref: Gmelin:15203
inchi: InChI=1S/K/q+1
formula: K
has related synonym: K(+)
has related synonym: K+
has db xref: KEGG:C00238
has db xref: KEGG:D08403
inchikey: NPYPAHLBTDXSSS-UHFFFAOYSA-N
has db xref: PDBeChem:K
has related synonym: POTASSIUM ION
smiles: [K+]
has OBO namespace: chebi_ontology
has exact synonym: potassium cation
has exact synonym: potassium(1+)
has exact synonym: potassium(1+) ion
has exact synonym: potassium(I) cation
in subset: 3 STAR

calcium(2+)
type: Class
subclass of: monoatomic dication
subclass of: calcium cation
subclass of: divalent metal cation
charge: +2
monoisotopicmass: 39.963
mass: 40.07800
inchikey: BHPQYMZQTOCNFJ-UHFFFAOYSA-N
has related synonym: CALCIUM ION
has db xref: CAS:14127-61-8
has alternative id: CHEBI:22988
id: CHEBI:29108
has alternative id: CHEBI:3308
has alternative id: CHEBI:48760
formula: Ca
has related synonym: Ca(2+)
has related synonym: Ca2+
has db xref: Gmelin:6850
inchi: InChI=1S/Ca/q+2
has db xref: KEGG:C00076
has db xref: PDBeChem:CA
smiles: [Ca++]
has exact synonym: calcium(2+)
has exact synonym: calcium(2+) ion
has exact synonym: calcium(II) cation
has related synonym: calcium, doubly charged positive ion
has OBO namespace: chebi_ontology
in subset: 3 STAR

hydrogenperoxide(1-)
type: Class
subclass of: oxygen hydride
charge: -1
monoisotopicmass: 32.998
mass: 33.00674
has db xref: CAS:14691-59-9
id: CHEBI:29192
has db xref: Gmelin:507
formula: HO2
has related synonym: HO2(-)
has related synonym: HOO anion
has related synonym: HOO(-)
inchi: InChI=1S/H2O2/c1-2/h1-2H/p-1
inchikey: MHAJPDPJQMAIIY-UHFFFAOYSA-M
has related synonym: [HO2](-)
smiles: [H]O[O-]
has OBO namespace: chebi_ontology
has exact synonym: dioxidanide
has exact synonym: hydrogen(peroxide)(1-)
has exact synonym: hydrogendioxide(1-)
has exact synonym: hydrogenperoxide(1-)
in subset: 3 STAR

cyanate
type: Class
subclass of: organonitrogen compound
subclass of: pseudohalide anion
charge: -1
monoisotopicmass: 41.998
mass: 42.01684
has db xref: CAS:661-20-1
has db xref: CAS:71000-82-3
has alternative id: CHEBI:14037
has alternative id: CHEBI:23419
id: CHEBI:29195
formula: CNO
has related synonym: Cyanat
inchi: InChI=1S/CHNO/c2-1-3/h3H/p-1
has db xref: KEGG:C01417
has related synonym: OCN(-)
has db xref: UM-BBD_compID:c0568
inchikey: XLJMAIOERFSOGZ-UHFFFAOYSA-M
has related synonym: Zyanat
has related synonym: [C(N)O](-)
smiles: [O-]C#N
has OBO namespace: chebi_ontology
has exact synonym: cyanate
has related synonym: cyanate ion
has exact synonym: nitridooxidocarbonate(1-)
in subset: 3 STAR

isocyanic acid
type: Class
subclass of: hydracid
subclass of: one-carbon compound
charge: 0
monoisotopicmass: 43.006
mass: 43.02478
IAO_0000115: A colourless, volatile, poisonous inorganic compound with the formula HNCO; the simplest stable chemical compound that contains carbon, hydrogen, nitrogen, and oxygen, the four most commonly-found elements in organic chemistry and biology.
has db xref: Beilstein:1616281
has db xref: CAS:75-13-8
id: CHEBI:29202
formula: CHNO
has db xref: Gmelin:840
has related synonym: HN=C=O
has related synonym: HNCO
has related synonym: ICA
inchi: InChI=1S/CHNO/c2-1-3/h2H
smiles: N=C=O
inchikey: OWIKHYCFFJSOEH-UHFFFAOYSA-N
has db xref: PMID:19494520
has db xref: PMID:26124058
has db xref: PMID:26760716
has db xref: PMID:977566
has db xref: Reaxys:1616281
has related synonym: [C(NH)O]
has related synonym: carbimide
has OBO namespace: chebi_ontology
has related synonym: hydrogen isocyanate
has related synonym: isocyanate
has exact synonym: isocyanic acid
has related synonym: isocyansaeure
has related synonym: isozyansaeure
has related synonym: methenamide
has related synonym: oxidoazanediidocarbon
in subset: 3 STAR

sulfonic acid
type: Class
subclass of: sulfur oxoacid
charge: 0
monoisotopicmass: 81.972
mass: 82.08008
inchikey: BDHFUVZGWQCTTF-UHFFFAOYSA-N
id: CHEBI:29214
has db xref: Gmelin:1404640
formula: H2O3S
has related synonym: HSHO3
inchi: InChI=1S/H2O3S/c1-4(2)3/h4H,(H,1,2,3)
has related synonym: Sulfonsaeure
smiles: [H]S(O)(=O)=O
has related synonym: [SHO2(OH)]
has related synonym: acide sulfonique
has OBO namespace: chebi_ontology
has exact synonym: hydridohydroxidodioxidosulfur
has exact synonym: sulfonic acid
has related synonym: sulphonic acid
in subset: 3 STAR

thiol
type: Class
subclass of: organosulfur compound
subclass of: Restriction
  on property: has part
  some values from: thiol group
charge: 0
monoisotopicmass: 32.980
mass: 33.07300
IAO_0000115: An organosulfur compound in which a thiol group, -SH, is attached to a carbon atom of any aliphatic or aromatic moiety.
has alternative id: CHEBI:13443
has alternative id: CHEBI:13696
has alternative id: CHEBI:17366
has alternative id: CHEBI:26969
id: CHEBI:29256
has alternative id: CHEBI:8766
has alternative id: CHEBI:9556
formula: HSR
has db xref: KEGG:C00145
has related synonym: Mercaptan
has related synonym: Merkaptan
has related synonym: RSH
smiles: S[*]
has exact synonym: Thiol
has db xref: Wikipedia:Thiol
has related synonym: a thiol
has OBO namespace: chebi_ontology
has related synonym: mercaptans
has related synonym: thiols
has exact synonym: thiols
in subset: 3 STAR

calcium(0)
type: Class
subclass of: elemental calcium
charge: 0
monoisotopicmass: 39.963
mass: 40.07800
has db xref: Beilstein:4241647
has db xref: CAS:7440-70-2
id: CHEBI:29320
formula: Ca
has related synonym: Ca(0)
has related synonym: Can
has db xref: Gmelin:16277
inchi: InChI=1S/Ca
inchikey: OYPRJOBELJOOCE-UHFFFAOYSA-N
smiles: [Ca]
has exact synonym: calcium
has exact synonym: calcium(0)
has OBO namespace: chebi_ontology
in subset: 3 STAR

azanide
type: Class
subclass of: nitrogen hydride
subclass of: monovalent inorganic anion
charge: -1
monoisotopicmass: 16.019
mass: 16.02262
id: CHEBI:29337
formula: H2N
inchikey: HYGWNUKOUCZBND-UHFFFAOYSA-N
inchi: InChI=1S/H2N/h1H2/q-1
has related synonym: NH2(-)
smiles: [H][N-][H]
has exact synonym: amide
has exact synonym: azanide
has OBO namespace: chebi_ontology
has exact synonym: dihydridonitrate(1-)
in subset: 3 STAR

hydridonitrate(2-)
type: Class
subclass of: nitrogen hydride
subclass of: divalent inorganic anion
charge: -2
monoisotopicmass: 15.011
mass: 15.01468
IAO_0000115: A divalent inorganic anion resulting from the removal of two protons from ammonia.
id: CHEBI:29340
inchikey: DZQYTNGKSBCIOE-UHFFFAOYSA-N
formula: HN
inchi: InChI=1S/HN/h1H/q-2
has related synonym: NH(2-)
smiles: [N--][H]
has exact synonym: azanediide
has OBO namespace: chebi_ontology
has exact synonym: hydridonitrate(2-)
has related synonym: imide
in subset: 3 STAR

monocarboxylic acid amide
type: Class
subclass of: carboxamide
charge: 0
monoisotopicmass: 41.998
mass: 42.01680
IAO_0000115: A carboxamide derived from a monocarboxylic acid.
has alternative id: CHEBI:13211
has alternative id: CHEBI:22207
has alternative id: CHEBI:25383
id: CHEBI:29347
has alternative id: CHEBI:6977
formula: CNOR3
smiles: [*]N([*])C([*])=O
has OBO namespace: chebi_ontology
has related synonym: monocarboxylic acid amides
in subset: 3 STAR

methanediide
type: Class
subclass of: hydrocarbyl anion
charge: -2
monoisotopicmass: 14.016
mass: 14.02658
has db xref: Beilstein:5915711
formula: CH2
has related synonym: CH2(2-)
id: CHEBI:29360
has db xref: Gmelin:322698
inchi: InChI=1S/CH2/h1H2/q-2
inchikey: PZPOWPOFQLSNJO-UHFFFAOYSA-N
has related synonym: [CH2](2-)
smiles: [H][C--][H]
has OBO namespace: chebi_ontology
has exact synonym: dihydridocarbonate(2-)
has exact synonym: methanediide
in subset: 3 STAR

peroxy group
type: Class
subclass of: inorganic group
has related synonym: -OO-
charge: 0
monoisotopicmass: 31.990
mass: 31.99880
id: CHEBI:29369
formula: O2
has OBO namespace: chebi_ontology
has exact synonym: peroxy
in subset: 3 STAR

oxonium
type: Class
subclass of: oxygen hydride
subclass of: onium cation
charge: +1
monoisotopicmass: 19.018
mass: 19.02322
has db xref: CAS:13968-08-6
id: CHEBI:29412
has db xref: Gmelin:141
formula: H3O
has related synonym: H3O(+)
has related synonym: Hydronium cation
has related synonym: Hydronium ion
inchi: InChI=1S/H2O/h1H2/p+1
has db xref: MolBase:1646
inchikey: XLYOFNOQVPJJNP-UHFFFAOYSA-O
smiles: [H][O+]([H])[H]
has related synonym: [OH3](+)
has exact synonym: aquahydrogen(1+)
has OBO namespace: chebi_ontology
has exact synonym: oxidanium
has exact synonym: oxonium
has exact synonym: trihydridooxygen(1+)
in subset: 3 STAR

methylidyne group
type: Class
subclass of: hydrocarbylidyne group
has related synonym: #CH
charge: 0
monoisotopicmass: 13.008
mass: 13.01864
formula: CH
id: CHEBI:29429
has OBO namespace: chebi_ontology
has exact synonym: methylidyne
in subset: 3 STAR

methanide
type: Class
subclass of: hydrocarbyl anion
charge: -1
monoisotopicmass: 15.023
mass: 15.03452
has db xref: Beilstein:1813938
has db xref: CAS:15194-58-8
formula: CH3
has related synonym: CH3(-)
id: CHEBI:29438
has db xref: Gmelin:259263
inchi: InChI=1S/CH3/h1H3/q-1
inchikey: LGRLWUINFJPLSH-UHFFFAOYSA-N
has related synonym: [CH3](-)
smiles: [H][C-]([H])[H]
has OBO namespace: chebi_ontology
has related synonym: lambda(2)-methanuide
has exact synonym: methanide
has related synonym: methyl anion
has exact synonym: trihydridocarbonate(1-)
in subset: 3 STAR

hydridodioxygen(1+)
type: Class
subclass of: oxygen hydride
charge: +1
monoisotopicmass: 32.998
mass: 33.00674
id: CHEBI:29793
has db xref: Gmelin:508
formula: HO2
has related synonym: HO2(+)
has related synonym: HOO(+)
inchi: InChI=1S/O2/c1-2/p+1
inchikey: MYMOFIZGZYHOMD-UHFFFAOYSA-O
has related synonym: [HO2](+)
smiles: [H][O+]=O
has OBO namespace: chebi_ontology
has exact synonym: dioxidenium
has exact synonym: hydridodioxygen(1+)
in subset: 3 STAR

diphosphoric acid
type: Class
subclass of: phosphorus oxoacid
subclass of: acyclic phosphorus acid anhydride
charge: 0
has exact synonym: 1,5-dihydrido-2,4-dihydroxido-2,4-dioxido-1,3,5-trioxy-2,4-diphosphy-[5]catena
monoisotopicmass: 177.943
mass: 177.97508
IAO_0000115: An acyclic phosphorus acid anhydride obtained by condensation of two molecules of phosphoric acid.
has db xref: CAS:2466-09-3
id: CHEBI:29888
has alternative id: CHEBI:45067
has alternative id: CHEBI:8683
has exact synonym: Diphosphoric acid
has related synonym: Diphosphorsaeure
has db xref: DrugBank:DB04160
has db xref: ECMDB:ECMDB04142
has db xref: Gmelin:82619
formula: H4O7P2
has related synonym: H4P2O7
inchi: InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)
has db xref: KEGG:C00013
has db xref: KNApSAcK:C00019561
smiles: OP(O)(=O)OP(O)(O)=O
has db xref: PDBeChem:PPV
has db xref: PMID:6291941
has related synonym: PYROPHOSPHATE
has related synonym: Pyrophosphate
has related synonym: Pyrophosphoric acid
has related synonym: Pyrophosphorsaeure
has db xref: Reaxys:3942075
inchikey: XPPKVPWEQAFLFU-UHFFFAOYSA-N
has related synonym: [(HO)2P(O)OP(O)(OH)2]
has related synonym: acide diphosphorique
has OBO namespace: chebi_ontology
has exact synonym: diphosphoric acid
has exact synonym: mu-oxido-bis(dihydroxidooxidophosphorus)
in subset: 3 STAR

thiol group
type: Class
subclass of: inorganic group
has related synonym: -SH
charge: 0
monoisotopicmass: 32.980
mass: 33.07394
has alternative id: CHEBI:26821
has alternative id: CHEBI:29916
id: CHEBI:29917
formula: HS
has related synonym: HS-
has related synonym: Mercaptogruppe
has related synonym: Merkaptogruppe
has related synonym: Sulfhydrylgruppe
has related synonym: Thiolgruppe
has OBO namespace: chebi_ontology
has related synonym: mercapto group
has exact synonym: sulfanyl
has related synonym: sulfhydryl group
has related synonym: sulphydryl group
has exact synonym: thiol
has exact synonym: thiol group
in subset: 3 STAR

hydrosulfide
type: Class
subclass of: sulfur hydride
charge: -1
monoisotopicmass: 32.980
mass: 33.07394
has db xref: CAS:15035-72-0
id: CHEBI:29919
has db xref: Gmelin:24766
formula: HS
has related synonym: HS anion
has related synonym: HS(-)
inchi: InChI=1S/H2S/h1H2/p-1
inchikey: RWSOTUBLDIXVET-UHFFFAOYSA-M
smiles: [S-][H]
has OBO namespace: chebi_ontology
has related synonym: hydrogen sulfide
has exact synonym: hydrogen(sulfide)(1-)
has exact synonym: hydrosulfide
has exact synonym: sulfanide
in subset: 3 STAR

sulfo group
type: Class
subclass of: inorganic group
has related synonym: -S(O)2(OH)
charge: 0
monoisotopicmass: 80.965
mass: 81.07214
id: CHEBI:29922
formula: HO3S
has db xref: PDBeChem:SFO
has exact synonym: SULFO GROUP
has OBO namespace: chebi_ontology
has exact synonym: hydroxydioxo-lambda(6)-sulfanyl
has exact synonym: hydroxysulfonyl
has exact synonym: sulfo
in subset: 3 STAR

L-glutamate(1-)
type: Class
subclass of: glutamate(1-)
subclass of: polar amino acid zwitterion
has related synonym: (2S)-2-ammoniopentanedioate
charge: -1
monoisotopicmass: 146.045
mass: 146.12136
IAO_0000115: An alpha-amino-acid anion that is the conjugate base of L-glutamic acid, having anionic carboxy groups and a cationic amino group
formula: C5H8NO4
has db xref: CAS:11070-68-1
has alternative id: CHEBI:13107
has alternative id: CHEBI:21301
id: CHEBI:29985
has db xref: Gmelin:936654
inchi: InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m0/s1
has related synonym: L-glutamate
has exact synonym: L-glutamate(1-)
has related synonym: L-glutamic acid monoanion
has related synonym: L-glutamic acid, ion(1-)
has db xref: MetaCyc:GLT
inchikey: WHUUTDBJXJRKMK-VKHMYHEASA-M
smiles: [NH3+][C@@H](CCC([O-])=O)C([O-])=O
has OBO namespace: chebi_ontology
has exact synonym: hydrogen L-glutamate
in subset: 3 STAR

D-glutamate(1-)
type: Class
subclass of: glutamate(1-)
has related synonym: (2R)-2-ammoniopentanedioate
charge: -1
monoisotopicmass: 146.045
mass: 146.12136
IAO_0000115: An alpha-amino-acid anion that is the conjugate base of D-glutamic acid, having anionic carboxy groups and a cationic amino group
has db xref: Beilstein:8319427
formula: C5H8NO4
has alternative id: CHEBI:12979
has alternative id: CHEBI:21022
id: CHEBI:29986
has related synonym: D-glutamate
has exact synonym: D-glutamate(1-)
has related synonym: D-glutamic acid monoanion
inchi: InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-1/t3-/m1/s1
has db xref: MetaCyc:D-GLT
inchikey: WHUUTDBJXJRKMK-GSVOUGTGSA-M
smiles: [NH3+][C@H](CCC([O-])=O)C([O-])=O
has OBO namespace: chebi_ontology
has exact synonym: hydrogen D-glutamate
in subset: 3 STAR

glutamate(2-)
type: Class
subclass of: dicarboxylic acid dianion
charge: -2
monoisotopicmass: 145.038
mass: 145.11342
has exact synonym: 2-aminopentanedioate
IAO_0000115: A dicarboxylic acid dianion that is the conjugate base of glutamate(1-).
has db xref: Beilstein:4134100
formula: C5H7NO4
id: CHEBI:29987
has db xref: Gmelin:327903
inchi: InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-2
smiles: NC(CCC([O-])=O)C([O-])=O
has db xref: Reaxys:4134100
inchikey: WHUUTDBJXJRKMK-UHFFFAOYSA-L
has OBO namespace: chebi_ontology
has exact synonym: glutamate
has exact synonym: glutamate(2-)
has related synonym: glutamic acid dianion
in subset: 3 STAR

L-glutamate(2-)
type: Class
subclass of: glutamate(2-)
subclass of: L-alpha-amino acid anion
has exact synonym: (2S)-2-aminopentanedioate
charge: -2
monoisotopicmass: 145.038
mass: 145.11342
IAO_0000115: An L-alpha-amino acid anion that is the dianion obtained by the deprotonation of the both the carboxy groups of L-glutamic acid.
formula: C5H7NO4
id: CHEBI:29988
has db xref: Gmelin:327905
inchi: InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-2/t3-/m0/s1
has exact synonym: L-glutamate
has exact synonym: L-glutamate(2-)
has related synonym: L-glutamic acid dianion
smiles: N[C@@H](CCC([O-])=O)C([O-])=O
inchikey: WHUUTDBJXJRKMK-VKHMYHEASA-L
has OBO namespace: chebi_ontology
in subset: 3 STAR

D-glutamate(2-)
type: Class
subclass of: glutamate(2-)
has exact synonym: (2R)-2-aminopentanedioate
charge: -2
monoisotopicmass: 145.038
mass: 145.11342
has db xref: Beilstein:8143000
formula: C5H7NO4
id: CHEBI:29989
has exact synonym: D-glutamate
has exact synonym: D-glutamate(2-)
has related synonym: D-glutamic acid dianion
has db xref: Gmelin:327904
inchi: InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/p-2/t3-/m1/s1
smiles: N[C@H](CCC([O-])=O)C([O-])=O
inchikey: WHUUTDBJXJRKMK-GSVOUGTGSA-L
has OBO namespace: chebi_ontology
in subset: 3 STAR

copper(0)
type: Class
subclass of: elemental copper
charge: 0
monoisotopicmass: 62.930
mass: 63.54600
has db xref: CAS:7440-50-8
id: CHEBI:30052
formula: Cu
has related synonym: Cu(0)
has related synonym: Cun
inchi: InChI=1S/Cu
inchikey: RYGMFSIKBFXOCR-UHFFFAOYSA-N
smiles: [Cu]
has OBO namespace: chebi_ontology
has exact synonym: copper
has exact synonym: copper(0)
in subset: 3 STAR

acetate
type: Class
subclass of: monocarboxylic acid anion
charge: -1
monoisotopicmass: 59.013
mass: 59.04402
IAO_0000115: A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of acetic acid.
has related synonym: ACETATE ION
has related synonym: Azetat
has db xref: Beilstein:1901470
formula: C2H3O2
has db xref: CAS:71-50-1
smiles: CC([O-])=O
has related synonym: CH3-COO(-)
has alternative id: CHEBI:13704
has alternative id: CHEBI:22165
id: CHEBI:30089
has alternative id: CHEBI:40480
has db xref: DrugBank:DB03166
has related synonym: Ethanoat
has db xref: Gmelin:1379
inchi: InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1
has db xref: KEGG:C00033
has related synonym: MeCO2 anion
has db xref: MetaCyc:ACET
has db xref: PDBeChem:ACT
has db xref: PMID:17190852
has db xref: PMID:22211106
has db xref: PMID:22371380
inchikey: QTBSBXVTEAMEQO-UHFFFAOYSA-M
has db xref: Reaxys:1901470
has db xref: UM-BBD_compID:c0050
has db xref: Wikipedia:Acetate
has exact synonym: acetate
has related synonym: acetic acid, ion(1-)
has OBO namespace: chebi_ontology
has related synonym: ethanoate
in subset: 3 STAR

lithium atom
type: Class
subclass of: alkali metal atom
charge: 0
has related synonym: 3Li
mass: 6.94100
monoisotopicmass: 7.016
has db xref: CAS:7439-93-2
id: CHEBI:30145
inchi: InChI=1S/Li
has related synonym: Li
formula: Li
has related synonym: Lithium
inchikey: WHXSMMKQMYFTQS-UHFFFAOYSA-N
has db xref: WebElements:Li
smiles: [Li]
has OBO namespace: chebi_ontology
has exact synonym: lithium
has related synonym: lithium
has related synonym: litio
in subset: 3 STAR

zinc(0)
type: Class
subclass of: elemental zinc
charge: 0
monoisotopicmass: 63.929
mass: 65.39000
has db xref: CAS:7440-66-6
id: CHEBI:30185
has db xref: DrugBank:DB01593
inchikey: HCHKCACWOHOZIP-UHFFFAOYSA-N
inchi: InChI=1S/Zn
formula: Zn
has related synonym: Zn(0)
has related synonym: Znn
smiles: [Zn]
has OBO namespace: chebi_ontology
has related synonym: zinc
has exact synonym: zinc(0)
in subset: 3 STAR

thioacetate
type: Class
subclass of: thiocarboxylic acid anion
charge: -1
monoisotopicmass: 74.990
mass: 75.11062
has db xref: Beilstein:1848542
has db xref: Beilstein:3903387
formula: C2H3OS
has db xref: CAS:29632-72-2
smiles: CC([S-])=O
has alternative id: CHEBI:15233
has alternative id: CHEBI:26951
id: CHEBI:30320
inchikey: DUYAAUVXQSMXQP-UHFFFAOYSA-M
has db xref: Gmelin:323277
inchi: InChI=1S/C2H4OS/c1-2(3)4/h1H3,(H,3,4)/p-1
has related synonym: Thioacetat
has OBO namespace: chebi_ontology
has exact synonym: ethanethioate
has exact synonym: thioacetate
in subset: 3 STAR

isopropyl group
type: Class
subclass of: alkyl group
subclass of: proteinogenic amino-acid side-chain group
has related synonym: (CH3)2CH-
has related synonym: -CH(CH3)2
charge: 0
has related synonym: 1-methylethyl
monoisotopicmass: 43.055
mass: 43.08768
formula: C3H7
id: CHEBI:30353
has OBO namespace: chebi_ontology
has related synonym: iPr
has exact synonym: isopropyl
has exact synonym: propan-2-yl
has related synonym: valine side-chain
in subset: 3 STAR

isobutyl group
type: Class
subclass of: alkyl group
subclass of: proteinogenic amino-acid side-chain group
has related synonym: (CH3)2CH-CH2-
has related synonym: -CH2-CH(CH3)2
charge: 0
has exact synonym: 2-methylpropan-1-ido
has exact synonym: 2-methylpropyl
monoisotopicmass: 57.070
mass: 57.11426
formula: C4H9
id: CHEBI:30356
has OBO namespace: chebi_ontology
has related synonym: iBu
has exact synonym: isobutyl
has related synonym: leucine side-chain
in subset: 3 STAR

isopentane
type: Class
subclass of: alkane
has related synonym: (CH3)2CH-CH2-CH3
charge: 0
has related synonym: 1,1,2-trimethylethane
has related synonym: 1,1-dimethylpropane
has exact synonym: 2-methylbutane
monoisotopicmass: 72.094
mass: 72.14878
IAO_0000115: An alkane that is butane substituted by a methyl group at position 2.
has db xref: Beilstein:1730723
formula: C5H12
has db xref: CAS:78-78-4
smiles: CCC(C)C
id: CHEBI:30362
has db xref: Gmelin:49318
inchi: InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3
has db xref: PMID:21481069
has db xref: PMID:23904008
has db xref: PMID:24833189
has db xref: PMID:24932627
inchikey: QWTDNUCVQCZILF-UHFFFAOYSA-N
has related synonym: R-601a
has db xref: Reaxys:1730723
has db xref: Wikipedia:Isopentane
has OBO namespace: chebi_ontology
has related synonym: dimethylethylmethane
has related synonym: iso-C5H12
has related synonym: iso-pentane
has related synonym: isoamylhydride
has exact synonym: isopentane
in subset: 3 STAR

isobutane
type: Class
subclass of: gas molecular entity
subclass of: alkane
has related synonym: (CH3)2CH-CH3
charge: 0
has exact synonym: 2-methylpropane
monoisotopicmass: 58.078
mass: 58.12220
IAO_0000115: An alkane that is propane substituted by a methyl group at position 2.
has db xref: Beilstein:1730720
formula: C4H10
has db xref: CAS:75-28-5
smiles: CC(C)C
id: CHEBI:30363
has related synonym: E943b
has db xref: Gmelin:1301
inchi: InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3
has db xref: KEGG:D04623
inchikey: NNPPMTNAJDCUHE-UHFFFAOYSA-N
has db xref: PMID:24179026
has db xref: PMID:24464945
has related synonym: R-600a
has db xref: Reaxys:1730720
has db xref: Wikipedia:Isobutane
has OBO namespace: chebi_ontology
has exact synonym: isobutane
in subset: 3 STAR

cobalamin
type: Class
subclass of: cobalamins
IAO_0000115: A cobalt-corrinoid hexaamide that is cobalamin with the oxidation state of the central cobalt atom unspecified.
id: CHEBI:30411
has exact synonym: COBALAMIN
has db xref: COMe:MOL000036
has exact synonym: Coalpha-[alpha-(5,6-dimethylbenzimidazolyl)]-cobamide
has db xref: PDBeChem:B12
has db xref: PMID:11371572
has db xref: PMID:15181872
has OBO namespace: chebi_ontology
has exact synonym: cobalamin
in subset: 3 STAR

monoatomic dication
type: Class
subclass of: monoatomic cation
charge: +2
mass: 0.00000
has alternative id: CHEBI:23856
id: CHEBI:30412
has alternative id: CHEBI:4665
has related synonym: Divalent cation
has db xref: KEGG:C00572
smiles: [*++]
has OBO namespace: chebi_ontology
has related synonym: divalent cation
has related synonym: divalent inorganic cations
has related synonym: monoatomic dications
in subset: 3 STAR

heme
type: Class
subclass of: metalloporphyrin
subclass of: iron coordination entity
subclass of: metallotetrapyrrole
IAO_0000115: A heme is any tetrapyrrolic chelate of iron.
has alternative id: CHEBI:14386
has alternative id: CHEBI:24491
id: CHEBI:30413
has db xref: COMe:MOL000025
has db xref: DrugBank:DB03014
has related synonym: Haem
has db xref: KEGG:C00032
has OBO namespace: chebi_ontology
has related synonym: haem
has related synonym: haeme
has related synonym: hem
has exact synonym: heme
has exact synonym: hemes
has related synonym: hemos
in subset: 3 STAR

sulfonium
type: Class
subclass of: sulfonium compound
subclass of: sulfur hydride
subclass of: onium cation
charge: +1
monoisotopicmass: 34.996
mass: 35.08982
has db xref: CAS:18155-21-0
id: CHEBI:30488
has db xref: Gmelin:307
formula: H3S
has related synonym: H3S(+)
has related synonym: H3S+
inchi: InChI=1S/H2S/h1H2/p+1
inchikey: RWSOTUBLDIXVET-UHFFFAOYSA-O
smiles: [H][S+]([H])[H]
has related synonym: [SH3](+)
has OBO namespace: chebi_ontology
has exact synonym: sulfanium
has exact synonym: sulfonium
has related synonym: sulphonium
has exact synonym: trihydridosulfur(1+)
in subset: 3 STAR

gamma-aminobutyrate
type: Class
subclass of: gamma-amino acid anion
charge: -1
monoisotopicmass: 102.056
mass: 102.11186
has related synonym: 4-Amino-butyrat
has related synonym: 4-Aminobutylate
has exact synonym: 4-aminobutanoate
has related synonym: 4-aminobutanoic acid ion (1-)
has related synonym: 4-aminobutyrate
IAO_0000115: An gamma-amino acid anion resulting from the deprotonation of the carboxy group of gamma-aminobutyric acid.
inchikey: BTCSSZJGUNDROE-UHFFFAOYSA-M
has db xref: Beilstein:3536873
formula: C4H8NO2
has alternative id: CHEBI:11961
has alternative id: CHEBI:20317
id: CHEBI:30566
has db xref: Gmelin:559138
inchi: InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)/p-1
has db xref: KEGG:C00334
smiles: NCCCC([O-])=O
has db xref: PMID:12509893
has db xref: Reaxys:3536873
has OBO namespace: chebi_ontology
has related synonym: gamma-aminobutanoate
has related synonym: gamma-aminobutyrate anion
in subset: 3 STAR

thyroxine zwitterion
type: Class
subclass of: amino acid zwitterion
has exact synonym: (2S)-2-azaniumyl-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoate
charge: 0
has related synonym: 2-Amino-3-[4-(4-hydroxy-3,5-diiodo-phenoxy)-3,5-diiodo-phenyl]-propionate
monoisotopicmass: 776.687
mass: 776.87000
formula: C15H11I4NO4
id: CHEBI:305790
inchi: InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)
IAO_0000115: The amino acid zwitterion formed from thyroxine by transfer of a proton from the carboxy group to the amino group. Major species at pH 7.3.
inchikey: XUIIKFGFIJCVMT-UHFFFAOYSA-N
has OBO namespace: chebi_ontology
has related synonym: thyroxine
in subset: 3 STAR

ATP(4-)
type: Class
subclass of: nucleoside triphosphate(4-)
charge: -4
monoisotopicmass: 502.964
mass: 503.14946
IAO_0000115: A nucleoside triphosphate(4-) obtained by global deprotonation of the triphosphate OH groups of ATP; major species present at pH 7.3.
has related synonym: ATP
has db xref: Beilstein:3581767
formula: C10H12N5O13P3
id: CHEBI:30616
has db xref: Gmelin:342798
smiles: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)[C@@H](O)[C@H]1O
inchikey: ZKHQWZAMYRWXGA-KQYNXXCUSA-J
has exact synonym: adenosine 5'-triphosphate(4-)
has related synonym: atp
has OBO namespace: chebi_ontology
in subset: 3 STAR

oxalate(2-)
type: Class
subclass of: oxalate
subclass of: dicarboxylic acid dianion
charge: -2
monoisotopicmass: 87.980
mass: 88.01900
IAO_0000115: A dicarboxylic acid dianion obtained by deprotonation of both carboxy groups of oxalic acid.
has db xref: Beilstein:1905970
formula: C2O4
has db xref: CAS:338-70-5
has alternative id: CHEBI:14702
has alternative id: CHEBI:25729
id: CHEBI:30623
has alternative id: CHEBI:44820
has db xref: Gmelin:2207
inchi: InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)/p-2
has db xref: KEGG:C00209
inchikey: MUBZPKHOEPUJKR-UHFFFAOYSA-L
has related synonym: OXALATE ION
has db xref: PDBeChem:OXL
has db xref: Reaxys:1905970
has db xref: UM-BBD_compID:c0017
smiles: [O-]C(=O)C([O-])=O
has OBO namespace: chebi_ontology
has exact synonym: ethanedioate
has related synonym: ethanedioic acid, ion(2-)
has related synonym: ox
has related synonym: oxalate
in subset: 3 STAR

thyroxine
type: Class
subclass of: iodophenol
subclass of: iodothyronine
subclass of: 2-halophenol
subclass of: tyrosine derivative
subclass of: non-proteinogenic alpha-amino acid
charge: 0
has related synonym: 2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid
monoisotopicmass: 776.687
mass: 776.87006
IAO_0000115: An iodothyronine compound having iodo substituents at the 3-, 3'-, 5- and 5'-positions.
has db xref: Beilstein:2228514
formula: C15H11I4NO4
has db xref: CAS:300-30-1
id: CHEBI:30660
has related synonym: DL-Thyroxine
inchi: InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)
has related synonym: O-(4-Hydroxy-3,5-diiodophenyl)-3,5-diiodo-DL-tyrosine
has db xref: PMID:15206581
has db xref: PMID:24375501
has db xref: PMID:9824273
has related synonym: Thx
inchikey: XUIIKFGFIJCVMT-UHFFFAOYSA-N
has OBO namespace: chebi_ontology
has exact synonym: thyroxine
in subset: 3 STAR

thyronine
type: Class
subclass of: phenols
subclass of: tyrosine derivative
subclass of: non-proteinogenic alpha-amino acid
charge: 0
has related synonym: 2-amino-3-[4-(4-hydroxyphenoxy)phenyl]propanoic acid
monoisotopicmass: 273.100
mass: 273.28394
IAO_0000115: A tyrosine derivative where the phenolic hydrogen of tyrosine is substituted by 4-hydroxyphenyl.
has db xref: Beilstein:2947040
formula: C15H15NO4
has db xref: CAS:1034-10-2
id: CHEBI:30661
has db xref: Gmelin:419747
inchi: InChI=1S/C15H15NO4/c16-14(15(18)19)9-10-1-5-12(6-2-10)20-13-7-3-11(17)4-8-13/h1-8,14,17H,9,16H2,(H,18,19)
inchikey: KKCIOUWDFWQUBT-UHFFFAOYSA-N
smiles: NC(Cc1ccc(Oc2ccc(O)cc2)cc1)C(O)=O
has related synonym: O-(4-hydroxyphenyl)-DL-tyrosine
has db xref: PMID:15643926
has db xref: Reaxys:2947040
has OBO namespace: chebi_ontology
has exact synonym: thyronine
in subset: 3 STAR

phenylacetic acid
type: Class
subclass of: benzenes
subclass of: monocarboxylic acid
charge: 0
monoisotopicmass: 136.052
mass: 136.14792
has related synonym: 2-PHENYLACETIC ACID
has related synonym: 2-Phenylethanoic acid
IAO_0000115: A monocarboxylic acid that is toluene in which one of the hydrogens of the methyl group has been replaced by a carboxy group.
has db xref: Beilstein:1099647
has related synonym: Benzeneacetic acid
has related synonym: Benzylformic acid
formula: C8H8O2
has db xref: CAS:103-82-2
has alternative id: CHEBI:25977
id: CHEBI:30745
has alternative id: CHEBI:44686
has alternative id: CHEBI:8085
has db xref: Drug_Central:4624
has db xref: ECMDB:ECMDB04128
has db xref: Gmelin:68976
has db xref: HMDB:HMDB0000209
inchi: InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)
has db xref: KEGG:C07086
has db xref: KNApSAcK:C00000750
has db xref: MetaCyc:PHENYLACETATE
smiles: OC(=O)Cc1ccccc1
has related synonym: Omega-Phenylacetic acid
has related synonym: PA
has db xref: PDBeChem:PAC
has db xref: PMID:12147706
has db xref: PMID:12569987
has db xref: PMID:15057459
has db xref: PMID:15506622
has db xref: PMID:15646820
has db xref: PMID:17622769
has db xref: PMID:2083978
has db xref: PMID:24587751
has db xref: PMID:24631718
has db xref: PMID:7544181
has db xref: PMID:7716788
has exact synonym: Phenylacetic acid
has db xref: Reaxys:1099647
inchikey: WLJVXDMOQOGPHL-UHFFFAOYSA-N
has db xref: Wikipedia:Phenylacetic_acid
has db xref: YMDB:YMDB00891
has related synonym: alpha-toluic acid
has related synonym: benzeneacetic acid
has OBO namespace: chebi_ontology
has related synonym: omega-phenylacetic acid
has exact synonym: phenylacetic acid
in subset: 3 STAR

formic acid
type: Class
subclass of: monocarboxylic acid
charge: 0
monoisotopicmass: 46.005
mass: 46.02538
has related synonym: Acide formique
has related synonym: Ameisensaeure
inchikey: BDAGIHXWWSANSR-UHFFFAOYSA-N
has db xref: BPDB:1749
has db xref: Beilstein:1209246
has db xref: CAS:64-18-6
formula: CH2O2
has alternative id: CHEBI:24082
id: CHEBI:30751
has alternative id: CHEBI:42460
has alternative id: CHEBI:5145
has db xref: DrugBank:DB01942
has exact synonym: FORMIC ACID
has exact synonym: Formic acid
has db xref: Gmelin:1008
has related synonym: H-COOH
has related synonym: HCO2H
has related synonym: HCOOH
has db xref: HMDB:HMDB0000142
inchi: InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)
has db xref: KEGG:C00058
has db xref: KNApSAcK:C00001182
has db xref: LIPID_MAPS_instance:LMFA01010040
has db xref: MetaCyc:FORMATE
has related synonym: Methanoic acid
has db xref: PDBeChem:FMT
has db xref: PMID:12591956
has db xref: PMID:14637377
has db xref: PMID:15811469
has db xref: PMID:16120414
has db xref: PMID:16185830
has db xref: PMID:16222862
has db xref: PMID:16230297
has db xref: PMID:16445901
has db xref: PMID:16465784
has db xref: PMID:18034701
has db xref: PMID:18397576
has db xref: PMID:22080171
has db xref: PMID:22280475
has db xref: PMID:22304812
has db xref: PMID:22385261
has db xref: PMID:22447125
has db xref: PMID:22483350
has db xref: PMID:22499553
has db xref: PMID:22540994
has db xref: PMID:22606986
has db xref: PMID:22622393
has db xref: PMID:3946945
has db xref: PMID:7361809
has db xref: Patent:CN101481304
has db xref: Reaxys:1209246
IAO_0000115: The simplest carboxylic acid, containing a single carbon. Occurs naturally in various sources including the venom of bee and ant stings, and is a useful organic synthetic reagent. Principally used as a preservative and antibacterial agent in livestock feed. Induces severe metabolic acidosis and ocular injury in human subjects.
has db xref: Wikipedia:Formic_acid
smiles: [H]C(O)=O
has related synonym: aminic acid
has related synonym: bilorin
has OBO namespace: chebi_ontology
has exact synonym: formic acid
has related synonym: formylic acid
has related synonym: hydrogen carboxylic acid
has related synonym: methoic acid
in subset: 3 STAR

propionic acid
type: Class
subclass of: saturated fatty acid
subclass of: short-chain fatty acid
charge: 0
monoisotopicmass: 74.037
mass: 74.07850
IAO_0000115: A short-chain saturated fatty acid comprising ethane attached to the carbon of a carboxy group.
has db xref: Beilstein:506071
formula: C3H6O2
has db xref: CAS:79-09-4
smiles: CCC(O)=O
has related synonym: CH3-CH2-COOH
has alternative id: CHEBI:26304
id: CHEBI:30768
has alternative id: CHEBI:45227
has alternative id: CHEBI:8476
has db xref: DrugBank:DB03766
has db xref: Gmelin:1821
inchi: InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)
has db xref: KEGG:C00163
has db xref: KEGG:D02310
has db xref: LIPID_MAPS_instance:LMFA01010003
has related synonym: PA
has db xref: PDBeChem:PPI
has db xref: PMID:15868474
has db xref: PMID:1628870
has db xref: PMID:16763906
has db xref: PPDB:1341
has related synonym: PROPANOIC ACID
has related synonym: Propanoic acid
has exact synonym: Propionic acid
has related synonym: Propionsaeure
inchikey: XBDQKXXYIPTUBI-UHFFFAOYSA-N
has related synonym: acide propanoique
has related synonym: acide propionique
has related synonym: carboxyethane
has OBO namespace: chebi_ontology
has related synonym: ethanecarboxylic acid
has related synonym: ethylformic acid
has related synonym: metacetonic acid
has related synonym: methylacetic acid
has exact synonym: propanoic acid
has related synonym: propioic acid
has exact synonym: propionic acid
has related synonym: propoic acid
has related synonym: pseudoacetic acid
in subset: 3 STAR

citric acid
type: Class
subclass of: tricarboxylic acid
charge: 0
monoisotopicmass: 192.027
mass: 192.12350
has related synonym: 2-Hydroxy-1,2,3-propanetricarboxylic acid
has related synonym: 2-Hydroxytricarballylic acid
has exact synonym: 2-hydroxypropane-1,2,3-tricarboxylic acid
has related synonym: 3-Carboxy-3-hydroxypentane-1,5-dioic acid
IAO_0000115: A tricarboxylic acid that is propane-1,2,3-tricarboxylic acid bearing a hydroxy substituent at position 2. It is an important metabolite in the pathway of all aerobic organisms.
has db xref: BPDB:1359
has db xref: Beilstein:782061
formula: C6H8O7
has db xref: CAS:77-92-9
has alternative id: CHEBI:23322
id: CHEBI:30769
has alternative id: CHEBI:3727
has alternative id: CHEBI:41523
has exact synonym: CITRIC ACID
has exact synonym: Citric acid
has related synonym: Citronensaeure
has db xref: DrugBank:DB04272
has db xref: Drug_Central:666
has related synonym: E330
has db xref: Gmelin:4240
has related synonym: H3cit
has db xref: HMDB:HMDB0000094
inchi: InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
has db xref: KEGG:C00158
has db xref: KEGG:D00037
has db xref: KNApSAcK:C00007619
inchikey: KRKNYBCHXYNGOX-UHFFFAOYSA-N
has db xref: MetaCyc:CIT
smiles: OC(=O)CC(O)(CC(O)=O)C(O)=O
has db xref: PDBeChem:CIT
has db xref: PMID:11762832
has db xref: PMID:11782123
has db xref: PMID:11857437
has db xref: PMID:14537820
has db xref: PMID:15311880
has db xref: PMID:15934243
has db xref: PMID:16232627
has db xref: PMID:17190852
has db xref: PMID:17357118
has db xref: PMID:17604395
has db xref: PMID:18298573
has db xref: PMID:18960216
has db xref: PMID:19288211
has db xref: PMID:22115968
has db xref: PMID:22192423
has db xref: PMID:22264346
has db xref: PMID:22373571
has db xref: PMID:22509852
has db xref: Reaxys:782061
has db xref: Wikipedia:Citric_Acid
has OBO namespace: chebi_ontology
has exact synonym: citric acid
in subset: 3 STAR

butyric acid
type: Class
subclass of: fatty acid 4:0
subclass of: straight-chain saturated fatty acid
charge: 0
has related synonym: 1-butanoic acid
has related synonym: 1-butyric acid
has related synonym: 1-propanecarboxylic acid
has related synonym: 4:0
monoisotopicmass: 88.052
mass: 88.10510
IAO_0000115: A straight-chain saturated fatty acid that is butane in which one of the terminal methyl groups has been oxidised to a carboxy group.
has related synonym: BUTANOIC ACID
has db xref: Beilstein:906770
has related synonym: Butanoate
has related synonym: Butanoic acid
has related synonym: Buttersaeure
has exact synonym: Butyric acid
has related synonym: C4:0
formula: C4H8O2
has db xref: CAS:107-92-6
smiles: CCCC(O)=O
has related synonym: CH3-[CH2]2-COOH
has alternative id: CHEBI:113450
has alternative id: CHEBI:22948
id: CHEBI:30772
has alternative id: CHEBI:3234
has alternative id: CHEBI:41208
has db xref: DrugBank:DB03568
inchikey: FERIUCNNQQJTOY-UHFFFAOYSA-N
has db xref: Gmelin:26242
has db xref: HMDB:HMDB0000039
inchi: InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)
has db xref: KEGG:C00246
has db xref: KNApSAcK:C00001180
has db xref: LIPID_MAPS_instance:LMFA01010004
has db xref: MetaCyc:BUTYRIC_ACID
has db xref: PDBeChem:BUA
has db xref: PMID:10736622
has db xref: PMID:10956204
has db xref: PMID:11201044
has db xref: PMID:11208715
has db xref: PMID:11238216
has db xref: PMID:11305323
has db xref: PMID:12068484
has db xref: PMID:13678314
has db xref: PMID:14962641
has db xref: PMID:1542095
has db xref: PMID:15809727
has db xref: PMID:15810631
has db xref: PMID:15938880
has db xref: PMID:19318247
has db xref: PMID:19366864
has db xref: PMID:19703412
has db xref: PMID:21699495
has db xref: PMID:22038864
has db xref: PMID:22194341
has db xref: PMID:22322557
has db xref: PMID:22339023
has db xref: PMID:22466881
has db xref: Reaxys:906770
has db xref: Wikipedia:Butyric_acid
has related synonym: acide butanoique
has related synonym: acide butyrique
has related synonym: butanic acid
has exact synonym: butanoic acid
has related synonym: butanoic acid
has related synonym: butoic acid
has exact synonym: butyric acid
has OBO namespace: chebi_ontology
has related synonym: ethylacetic acid
has related synonym: n-butanoic acid
has related synonym: n-butyric acid
has related synonym: propanecarboxylic acid
has related synonym: propylformic acid
in subset: 3 STAR

hexanoic acid
type: Class
subclass of: straight-chain saturated fatty acid
subclass of: medium-chain fatty acid
charge: 0
has related synonym: 1-hexanoic acid
has related synonym: 1-pentanecarboxylic acid
monoisotopicmass: 116.084
mass: 116.15830
has related synonym: 6:0
IAO_0000115: A C6, straight-chain saturated fatty acid.
has db xref: Beilstein:773837
has related synonym: C6:0
formula: C6H12O2
has db xref: CAS:142-62-1
smiles: CCCCCC(O)=O
has related synonym: CH3-[CH2]4-COOH
has alternative id: CHEBI:24571
id: CHEBI:30776
has alternative id: CHEBI:40213
has alternative id: CHEBI:5702
has db xref: ECMDB:ECMDB21229
inchikey: FUZZWVXGSFPDMH-UHFFFAOYSA-N
has db xref: Gmelin:185066
has exact synonym: HEXANOIC ACID
has db xref: HMDB:HMDB0000535
has related synonym: Hexanoate
has exact synonym: Hexanoic acid
has related synonym: Hexylic acid
inchi: InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)
has db xref: KEGG:C01585
has db xref: KNApSAcK:C00001218
has db xref: LIPID_MAPS_instance:LMFA01010006
has db xref: MetaCyc:HEXANOATE
has db xref: PDBeChem:6NA
has db xref: PMID:10685018
has db xref: PMID:1556177
has db xref: PMID:24357269
has db xref: PMID:24924750
has related synonym: Pentanecarboxylic acid
has db xref: Reaxys:773837
has db xref: Wikipedia:Hexanoic_acid
has db xref: YMDB:YMDB01424
has related synonym: butylacetic acid
has related synonym: caproic acid
has related synonym: capronic acid
has OBO namespace: chebi_ontology
has exact synonym: hexanoic acid
has related synonym: hexoic acid
has related synonym: n-Caproic acid
has related synonym: n-hexanoic acid
has related synonym: n-hexoic acid
has related synonym: n-hexylic acid
has related synonym: pentiformic acid
has related synonym: pentylformic acid
in subset: 3 STAR

malonic acid
type: Class
subclass of: alpha,omega-dicarboxylic acid
charge: 0
monoisotopicmass: 104.011
mass: 104.06146
IAO_0000115: An alpha,omega-dicarboxylic acid in which the two carboxy groups are separated by a single methylene group.
has db xref: Beilstein:1751370
formula: C3H4O4
has db xref: CAS:141-82-2
has alternative id: CHEBI:25132
id: CHEBI:30794
has alternative id: CHEBI:44060
has alternative id: CHEBI:6660
has db xref: DrugBank:DB02175
has db xref: Gmelin:2550
has related synonym: H2malo
has db xref: HMDB:HMDB0000691
has related synonym: HOOC-CH2-COOH
inchi: InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)
has db xref: KEGG:C00383
has db xref: KNApSAcK:C00001193
has db xref: LIPID_MAPS_instance:LMFA01170041
has exact synonym: MALONIC ACID
has exact synonym: Malonic acid
has db xref: MetaCyc:MALONATE
smiles: OC(=O)CC(O)=O
inchikey: OFOBLEOULBTSOW-UHFFFAOYSA-N
has db xref: PDBeChem:MLA
has db xref: PMID:22770225
has related synonym: Propanedioic acid
has db xref: Reaxys:1751370
has db xref: Wikipedia:Malonic_acid
has OBO namespace: chebi_ontology
has exact synonym: propanedioic acid
in subset: 3 STAR

malonate(1-)
type: Class
subclass of: dicarboxylic acid monoanion
charge: -1
monoisotopicmass: 103.003
mass: 103.05352
has db xref: Beilstein:3904186
formula: C3H3O4
id: CHEBI:30795
has db xref: Gmelin:324637
has related synonym: HOOC-CH2-COO(-)
has related synonym: Hmalo
inchi: InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)/p-1
has related synonym: Malonic acid, conjugate base
smiles: OC(=O)CC([O-])=O
inchikey: OFOBLEOULBTSOW-UHFFFAOYSA-M
has exact synonym: carboxyacetate
has OBO namespace: chebi_ontology
in subset: 3 STAR

tetradecanoate
type: Class
subclass of: long-chain fatty acid anion
subclass of: straight-chain saturated fatty acid anion
subclass of: omega-methyl fatty acid anion
subclass of: 2,3-saturated fatty acid(1-)
subclass of: fatty acid anion 14:0
subclass of: 2-saturated fatty acid anion
charge: -1
has related synonym: 1-tetradecanecarboxylate
monoisotopicmass: 227.201
mass: 227.364
IAO_0000115: A long-chain fatty acid anion that is the conjugate base of myristic acid; major species at pH 7.3.
has db xref: Beilstein:3589340
smiles: C(CCCCCCCC)CCCCC([O-])=O
formula: C14H27O2
has related synonym: CH3-[CH2]12-COO(-)
id: CHEBI:30807
has alternative id: CHEBI:35292
has db xref: Gmelin:335122
inchi: InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)/p-1
has db xref: KEGG:C06424
has db xref: Reaxys:3589340
inchikey: TUNFSRHWOTWDNC-UHFFFAOYSA-M
has exact synonym: Tetradecanoate
has OBO namespace: chebi_ontology
has related synonym: myristate
has related synonym: n-tetradecan-1-oate
has related synonym: n-tetradecoate
has exact synonym: tetradecanoate
has related synonym: tetradecoate
in subset: 3 STAR

orotate
type: Class
subclass of: pyrimidinecarboxylate anion
charge: -1
monoisotopicmass: 155.009
mass: 155.08830
has exact synonym: 2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate
has db xref: Beilstein:3651747
formula: C5H3N2O4
has db xref: CAS:73-97-2
has alternative id: CHEBI:14698
has alternative id: CHEBI:25719
id: CHEBI:30839
has db xref: Gmelin:464718
inchi: InChI=1S/C5H4N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11)/p-1
inchikey: PXQPEWDEAKTCGB-UHFFFAOYSA-M
smiles: [O-]C(=O)c1cc(=O)[nH]c(=O)[nH]1
has OBO namespace: chebi_ontology
has exact synonym: orotate
in subset: 3 STAR

urate(1-)
type: Class
subclass of: urate anion
charge: -1
mass: 167.10248
has related synonym: 7,9-dihydro-1H-purine-2,6,8(3H)-trione, ion(1-)
formula: C5H3N4O3
has db xref: CAS:3106-08-9
has alternative id: CHEBI:15290
id: CHEBI:30848
has OBO namespace: chebi_ontology
has related synonym: uric acid monoanion
has related synonym: uric acid, ion(1-)
in subset: 3 STAR

methylmalonic acid
type: Class
subclass of: C4-dicarboxylic acid
charge: 0
has related synonym: 1,1-Ethanedicarboxylic acid
monoisotopicmass: 118.027
mass: 118.08804
has related synonym: 2-methylmalonic acid
IAO_0000115: A dicarboxylic acid that is malonic acid in which one of the methylene hydrogens is substituted by a methyl group.
has db xref: Beilstein:1756084
formula: C4H6O4
has db xref: CAS:516-05-2
smiles: CC(C(O)=O)C(O)=O
has alternative id: CHEBI:25319
id: CHEBI:30860
has alternative id: CHEBI:42270
has alternative id: CHEBI:6881
has db xref: DrugBank:DB04183
has db xref: Gmelin:50008
has db xref: HMDB:HMDB0000202
inchi: InChI=1S/C4H6O4/c1-2(3(5)6)4(7)8/h2H,1H3,(H,5,6)(H,7,8)
has related synonym: Isosuccinic acid
has db xref: KEGG:C02170
has db xref: LIPID_MAPS_instance:LMFA01170118
has exact synonym: METHYLMALONIC ACID
has db xref: MetaCyc:CPD-546
has exact synonym: Methylmalonic acid
has db xref: PDBeChem:DXX
has db xref: PMID:11673368
has db xref: PMID:15770414
has db xref: PMID:17190852
has db xref: PMID:21478039
has db xref: PMID:21652239
has db xref: PMID:21687976
has db xref: PMID:21748409
has db xref: PMID:21802231
has db xref: PMID:21896502
has db xref: PMID:22104738
has db xref: PMID:22233538
has db xref: PMID:22301932
has db xref: PMID:22332180
has db xref: PMID:22377700
has db xref: PMID:22422209
has db xref: PMID:22424943
has db xref: PMID:22509143
has db xref: PMID:22537172
has db xref: PMID:22770225
has db xref: Reaxys:1756084
has db xref: Wikipedia:Methylmalonic_acid
inchikey: ZIYVHBGGAOATLY-UHFFFAOYSA-N
has related synonym: alpha-methylmalonic acid
has OBO namespace: chebi_ontology
has exact synonym: methylpropanedioic acid
in subset: 3 STAR

methylmalonate(1-)
type: Class
subclass of: dicarboxylic acid monoanion
charge: -1
monoisotopicmass: 117.019
mass: 117.08010
has exact synonym: 2-carboxypropanoate
IAO_0000115: A dicarboxylic acid monoanion resulting from the removal of a proton from one of the carboxylic acid groups of methylmalonic acid.
has db xref: Beilstein:5499681
formula: C4H5O4
smiles: CC(C(O)=O)C([O-])=O
id: CHEBI:30861
has db xref: Gmelin:142213
inchi: InChI=1S/C4H6O4/c1-2(3(5)6)4(7)8/h2H,1H3,(H,5,6)(H,7,8)/p-1
has db xref: Reaxys:5499681
inchikey: ZIYVHBGGAOATLY-UHFFFAOYSA-M
has OBO namespace: chebi_ontology
in subset: 3 STAR

alcohol
type: Class
subclass of: organic hydroxy compound
charge: 0
monoisotopicmass: 17.003
IAO_0000115: A compound in which a hydroxy group, -OH, is attached to a saturated carbon atom.
has exact synonym: Alcohol
has alternative id: CHEBI:13804
has alternative id: CHEBI:22288
has alternative id: CHEBI:2553
id: CHEBI:30879
formula: HOR
has db xref: KEGG:C00069
smiles: O[*]
has exact synonym: alcohols
has related synonym: an alcohol
has OBO namespace: chebi_ontology
in subset: 3 STAR

glucitol
type: Class
subclass of: hexitol
has db xref: Beilstein:1721909
formula: C6H14O6
has alternative id: CHEBI:15093
has alternative id: CHEBI:26724
has alternative id: CHEBI:26726
id: CHEBI:30911
has alternative id: CHEBI:33795
has alternative id: CHEBI:33796
has alternative id: CHEBI:9201
has db xref: Gmelin:83165
has related synonym: Sorbitol
has db xref: Wikipedia:Sorbitol
has OBO namespace: chebi_ontology
has exact synonym: glucitol
has related synonym: gulitol
has related synonym: rel-(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol
has related synonym: sorbitol
in subset: 3 STAR

2-oxoglutaric acid
type: Class
subclass of: oxo dicarboxylic acid
charge: 0
monoisotopicmass: 146.022
mass: 146.09810
has related synonym: 2-Ketoglutaric acid
has exact synonym: 2-oxopentanedioic acid
IAO_0000115: An oxo dicarboxylic acid that consists of glutaric acid bearing an oxo substituent at position 2. It is an intermediate metabolite in Krebs cycle.
has db xref: Beilstein:1705689
formula: C5H6O5
has db xref: CAS:328-50-7
has alternative id: CHEBI:1253
has alternative id: CHEBI:19749
id: CHEBI:30915
has alternative id: CHEBI:40661
has db xref: DrugBank:DB02926
has db xref: Gmelin:602480
has db xref: HMDB:HMDB0000208
inchi: InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)
has db xref: KEGG:C00026
has db xref: KNApSAcK:C00000769
inchikey: KPGXRSRHYNQIFN-UHFFFAOYSA-N
has db xref: MetaCyc:2-KETOGLUTARATE
smiles: OC(=O)CCC(=O)C(O)=O
has related synonym: Oxoglutaric acid
has db xref: PDBeChem:AKG
has db xref: PMID:17439666
has db xref: PMID:18990406
has db xref: PMID:20155414
has db xref: PMID:20200292
has db xref: PMID:20583149
has db xref: PMID:20636327
has db xref: PMID:21964641
has db xref: Reaxys:1705689
has db xref: Wikipedia:Alpha-Ketoglutaric_acid
has related synonym: alpha-Ketoglutaric acid
has related synonym: alpha-ketoglutaric acid
has OBO namespace: chebi_ontology
in subset: 3 STAR

2-oxoglutarate(1-)
type: Class
subclass of: dicarboxylic acid monoanion
charge: -1
monoisotopicmass: 145.014
mass: 145.09020
has related synonym: 2-ketoglutarate
has exact synonym: 4-carboxy-2-oxobutanoate
IAO_0000115: A dicarboxylic acid monoanion resulting from selective deprotonation of the 1-carboxy group of 2-oxoglutaric acid.
has db xref: Beilstein:4132418
formula: C5H5O5
id: CHEBI:30916
has db xref: Gmelin:2159365
inchi: InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)/p-1
inchikey: KPGXRSRHYNQIFN-UHFFFAOYSA-M
smiles: OC(=O)CCC(=O)C([O-])=O
has db xref: Reaxys:4132418
has OBO namespace: chebi_ontology
in subset: 3 STAR

3-hydroxy-3-methylglutarate(1-)
type: Class
subclass of: dicarboxylic acid monoanion
charge: -1
monoisotopicmass: 161.045
mass: 161.13270
has exact synonym: 4-carboxy-3-hydroxy-3-methylbutanoate
IAO_0000115: A dicarboxylic acid monoanion resulting from the removal of a proton from one of the carboxylic acid groups of 3-hydroxy-3-methylglutaric acid.
formula: C6H9O5
smiles: CC(O)(CC(O)=O)CC([O-])=O
id: CHEBI:30920
inchi: InChI=1S/C6H10O5/c1-6(11,2-4(7)8)3-5(9)10/h11H,2-3H2,1H3,(H,7,8)(H,9,10)/p-1
inchikey: NPOAOTPXWNWTSH-UHFFFAOYSA-M
has OBO namespace: chebi_ontology
in subset: 3 STAR

glutarate(2-)
type: Class
subclass of: glutarate
subclass of: dicarboxylic acid dianion
charge: -2
monoisotopicmass: 130.027
mass: 130.09874
IAO_0000115: A dicarboxylic acid dianion obtained by deprotonation of both the carboxy groups of glutaric acid.
has db xref: Beilstein:3904695
formula: C5H6O4
has alternative id: CHEBI:14322
has alternative id: CHEBI:24327
id: CHEBI:30921
has db xref: Gmelin:240388
inchi: InChI=1S/C5H8O4/c6-4(7)2-1-3-5(8)9/h1-3H2,(H,6,7)(H,8,9)/p-2
inchikey: JFCQEDHGNNZCLN-UHFFFAOYSA-L
has db xref: Reaxys:3904695
smiles: [O-]C(=O)CCCC([O-])=O
has OBO namespace: chebi_ontology
has related synonym: glutarate
has exact synonym: pentanedioate
in subset: 3 STAR

pyrazine
type: Class
subclass of: pyrazines
subclass of: diazine
charge: 0
has related synonym: 1,4-Diazin
has related synonym: 1,4-diazine
monoisotopicmass: 80.037
mass: 80.08804
IAO_0000115: A diazine that is benzene in which the carbon atoms at positions 1 and 4 have been replaced by nitrogen atoms.
has db xref: Beilstein:103905
formula: C4H4N2
has db xref: CAS:290-37-9
id: CHEBI:30953
has db xref: Gmelin:1733
has db xref: HMDB:HMDB0034176
inchi: InChI=1S/C4H4N2/c1-2-6-4-3-5-1/h1-4H
inchikey: KYQCOXFCLRTKLS-UHFFFAOYSA-N
has db xref: PMID:24964033
has related synonym: Pyrazin
has db xref: Reaxys:103905
has db xref: Wikipedia:Pyrazine
smiles: c1cnccn1
has OBO namespace: chebi_ontology
has related synonym: p-diazine
has related synonym: paradiazine
has exact synonym: pyrazine
has related synonym: pyz
in subset: 3 STAR

bile acid
type: Class
subclass of: bile acids
subclass of: hydroxy-5beta-cholanic acid
has related synonym: 5beta-bile acid
has related synonym: 5beta-bile acids
IAO_0000115: Any member of a group of hydroxy-5beta-cholanic acids occuring in bile, where they are present as the sodium salts of their amides with glycine or taurine. In mammals bile acids almost invariably have 5beta-configuration.
has exact synonym: Bile acid
has related synonym: Bile salt
id: CHEBI:3098
has related synonym: Gallensaeure
has related synonym: Gallensaeuren
has db xref: KEGG:C01558
has related synonym: bile acids
has OBO namespace: chebi_ontology
in subset: 3 STAR

4,4'-bipyridine
type: Class
subclass of: bipyridine
charge: 0
monoisotopicmass: 156.069
mass: 156.18400
has exact synonym: 4,4'-bipyridine
has related synonym: 4,4'-bipyridyl
has related synonym: 4,4'-bpy
has related synonym: 4,4'-dipyridine
has related synonym: 4,4'-dipyridyl
has related synonym: 4,4-Bipyridin
has related synonym: 4-(4-pyridyl)pyridine
IAO_0000115: A bipyridine in which the two pyridine moieties are linked by a bond between positions C-4 and C-4'.
has db xref: Beilstein:113176
formula: C10H8N2
has db xref: CAS:553-26-4
id: CHEBI:30985
has db xref: Gmelin:3759
inchi: InChI=1S/C10H8N2/c1-5-11-6-2-9(1)10-3-7-12-8-4-10/h1-8H
inchikey: MWVTWFVJZLCBMC-UHFFFAOYSA-N
has db xref: PMID:24022647
has db xref: PMID:24358992
has db xref: PMID:24446585
has db xref: Reaxys:113176
has db xref: Wikipedia:4,4%27-Bipyridine
smiles: c1cc(ccn1)-c1ccncc1
has OBO namespace: chebi_ontology
has related synonym: gamma,gamma'-bipyridyl
has related synonym: gamma,gamma'-dipyridyl
in subset: 3 STAR

valerate
type: Class
subclass of: short-chain fatty acid anion
subclass of: straight-chain saturated fatty acid anion
charge: -1
monoisotopicmass: 101.060
mass: 101.12376
IAO_0000115: A short-chain fatty acid anion that is the conjugate base of valeric acid; present in ester form as component of many steroid-based pharmaceuticals.
has db xref: Beilstein:3903735
formula: C5H9O2
has db xref: CAS:10023-74-2
smiles: CCCCC([O-])=O
has related synonym: CH3-[CH2]3-COO(-)
has alternative id: CHEBI:14751
has alternative id: CHEBI:25890
id: CHEBI:31011
has db xref: Gmelin:325619
inchi: InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)/p-1
inchikey: NQPDZGIKBAWPEJ-UHFFFAOYSA-M
has db xref: PMID:17314444
has db xref: PMID:18783570
has db xref: Reaxys:3903735
has OBO namespace: chebi_ontology
has related synonym: n-propylacetate
has exact synonym: pentanoate
has related synonym: pentanoate
has related synonym: pentanoic acid, ion(1-)
in subset: 3 STAR

ammonium chloride
type: Class
subclass of: inorganic chloride
subclass of: ammonium salt
charge: 0
monoisotopicmass: 53.003
mass: 53.49120
has exact synonym: Ammonium chloride
has related synonym: Ammoniumchlorid
IAO_0000115: An inorganic chloride having ammonium as the counterion.
has db xref: CAS:12125-02-9
id: CHEBI:31206
formula: Cl.H4N
formula: ClH4N
has db xref: Gmelin:10120
inchi: InChI=1S/ClH.H3N/h1H;1H3
has db xref: KEGG:C12538
has db xref: KEGG:D01139
has related synonym: NH4Cl
inchikey: NLXLAEXVIDQMFP-UHFFFAOYSA-N
has db xref: Wikipedia:Ammonium_Chloride
smiles: [Cl-].[H][N+]([H])([H])[H]
has related synonym: [NH4]Cl
has exact synonym: ammonium chloride
has related synonym: azanium chloride
has OBO namespace: chebi_ontology
in subset: 3 STAR

bradykinin
type: Class
subclass of: oligopeptide
charge: 0
monoisotopicmass: 1059.561
mass: 1060.20850
IAO_0000115: A linear nonapeptide messenger belonging to the kinin group of proteins, with amino acid sequence RPPGFSPFR. Enzymatically produced from kallidin in the blood, it is a powerful vasodilator that causes smooth muscle contraction, and may mediate inflammation.
has related synonym: Arg-Pro-Pro-Gly-Phe-Ser-Pro-Phe-Arg
has related synonym: BK
formula: C50H73N15O11
has db xref: CAS:58-82-2
id: CHEBI:3165
inchi: InChI=1S/C50H73N15O11/c51-32(16-7-21-56-49(52)53)45(72)65-25-11-20-39(65)47(74)64-24-9-18-37(64)43(70)58-28-40(67)59-34(26-30-12-3-1-4-13-30)41(68)62-36(29-66)46(73)63-23-10-19-38(63)44(71)61-35(27-31-14-5-2-6-15-31)42(69)60-33(48(75)76)17-8-22-57-50(54)55/h1-6,12-15,32-39,66H,7-11,16-29,51H2,(H,58,70)(H,59,67)(H,60,69)(H,61,71)(H,62,68)(H,75,76)(H4,52,53,56)(H4,54,55,57)/t32-,33-,34-,35-,36-,37-,38-,39-/m0/s1
has related synonym: L-Arg-L-Pro-L-Pro-Gly-L-Phe-L-Ser-L-Pro-L-Phe-L-Arg
has exact synonym: L-arginyl-L-prolyl-L-prolylglycyl-L-phenylalanyl-L-seryl-L-prolyl-L-phenylalanyl-L-arginine
has related synonym: L-bradykinin
has db xref: PMID:11799074
has db xref: PMID:11975815
has db xref: PMID:13446366
has db xref: PMID:13811230
has db xref: PMID:14597148
has db xref: PMID:15105283
has db xref: PMID:16680069
has db xref: PMID:18127230
has db xref: PMID:27318425
has db xref: PMID:27328010
has db xref: PMID:27432758
has db xref: PMID:27445816
has db xref: PMID:7859389
has db xref: PMID:8723398
has db xref: PMID:9403361
inchikey: QXZGBUJJYSLZLT-FDISYFBBSA-N
has related synonym: RPPGFSPFR
has db xref: Reaxys:24162492
has db xref: Reaxys:2801232
has db xref: Wikipedia:Bradykinin
has OBO namespace: chebi_ontology
in subset: 3 STAR

alaninate
type: Class
subclass of: alpha-amino-acid anion
charge: -1
has exact synonym: 2-aminopropanoate
monoisotopicmass: 88.040
mass: 88.08528
IAO_0000115: An alpha-amino-acid anion that is the conjugate base of alanine, arising from deprotonation of the carboxy group.
has db xref: Beilstein:3903719
formula: C3H6NO2
smiles: CC(N)C([O-])=O
id: CHEBI:32439
has db xref: Gmelin:101040
inchi: InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/p-1
inchikey: QNAYBMKLOCPYGJ-UHFFFAOYSA-M
has exact synonym: alaninate
has related synonym: alanine anion
has OBO namespace: chebi_ontology
in subset: 3 STAR

alaninium
type: Class
subclass of: alpha-amino-acid cation
charge: +1
has exact synonym: 1-carboxyethanaminium
monoisotopicmass: 90.056
mass: 90.10116
IAO_0000115: An alpha-amino-acid cation that is the conjugate acid of alanine.
formula: C3H8NO2
smiles: CC([NH3+])C(O)=O
id: CHEBI:32440
has db xref: Gmelin:362663
inchi: InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/p+1
inchikey: QNAYBMKLOCPYGJ-UHFFFAOYSA-O
has related synonym: alanine cation
has exact synonym: alaninium
has OBO namespace: chebi_ontology
in subset: 3 STAR

L-cysteinate(1-)
type: Class
subclass of: cysteinate(1-)
subclass of: L-alpha-amino acid anion
has related synonym: (2R)-2-amino-3-mercaptopropanoate
has related synonym: (2R)-2-amino-3-sulfanylpropanoate
charge: -1
monoisotopicmass: 120.012
mass: 120.15128
has db xref: Beilstein:4128886
formula: C3H6NO2S
id: CHEBI:32442
has db xref: Gmelin:325857
inchi: InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/p-1/t2-/m0/s1
has exact synonym: L-cysteinate(1-)
has related synonym: L-cysteine anion
has related synonym: L-cysteine monoanion
smiles: N[C@@H](CS)C([O-])=O
has db xref: Reaxys:4128886
IAO_0000115: The L-enantiomer of cysteinate(1-).
inchikey: XUJNEKJLAYXESH-REOHCLBHSA-M
has OBO namespace: chebi_ontology
has exact synonym: hydrogen L-cysteinate
in subset: 3 STAR

L-cysteinate(2-)
type: Class
subclass of: cysteinate(2-)
has related synonym: (2R)-2-amino-3-sulfidopropanoate
charge: -2
monoisotopicmass: 119.004
mass: 119.14334
has db xref: Beilstein:5921923
formula: C3H5NO2S
id: CHEBI:32443
has db xref: Gmelin:325856
inchi: InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/p-2/t2-/m0/s1
has exact synonym: L-cysteinate
has exact synonym: L-cysteinate(2-)
has related synonym: L-cysteine dianion
smiles: N[C@@H](C[S-])C([O-])=O
has db xref: Reaxys:5921923
IAO_0000115: The L-enantiomer of cysteinate(2-).
inchikey: XUJNEKJLAYXESH-REOHCLBHSA-L
has OBO namespace: chebi_ontology
in subset: 3 STAR

L-cysteinium
type: Class
subclass of: cysteinium
has related synonym: (1R)-1-carboxy-2-mercaptoethanaminium
has related synonym: (1R)-1-carboxy-2-sulfanylethanaminium
charge: +1
monoisotopicmass: 122.028
mass: 122.16716
formula: C3H8NO2S
id: CHEBI:32445
has db xref: Gmelin:325860
inchi: InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/p+1/t2-/m0/s1
has related synonym: L-cysteine cation
has exact synonym: L-cysteinium
has related synonym: L-cysteinium(1+)
IAO_0000115: The L-enantiomer of cysteinium.
inchikey: XUJNEKJLAYXESH-REOHCLBHSA-O
smiles: [NH3+][C@@H](CS)C(O)=O
has OBO namespace: chebi_ontology
in subset: 3 STAR

D-cysteinate(1-)
type: Class
subclass of: cysteinate(1-)
has related synonym: (2S)-2-amino-3-mercaptopropanoate
has related synonym: (2S)-2-amino-3-sulfanylpropanoate
charge: -1
monoisotopicmass: 120.012
mass: 120.15128
formula: C3H6NO2S
id: CHEBI:32449
has exact synonym: D-cysteinate(1-)
has related synonym: D-cysteine monoanion
has db xref: Gmelin:1006156
inchi: InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/p-1/t2-/m1/s1
smiles: N[C@H](CS)C([O-])=O
IAO_0000115: The D-enantiomer of cysteinate(1-).
inchikey: XUJNEKJLAYXESH-UWTATZPHSA-M
has OBO namespace: chebi_ontology
has exact synonym: hydrogen D-cysteinate
in subset: 3 STAR

D-cysteinate(2-)
type: Class
subclass of: cysteinate(2-)
has related synonym: (2S)-2-amino-3-sulfidopropanoate
charge: -2
monoisotopicmass: 119.004
mass: 119.14334
formula: C3H5NO2S
id: CHEBI:32450
has exact synonym: D-cysteinate
has exact synonym: D-cysteinate(2-)
has related synonym: D-cysteine dianion
has db xref: Gmelin:1342792
inchi: InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/p-2/t2-/m1/s1
smiles: N[C@H](C[S-])C([O-])=O
IAO_0000115: The D-enantiomer of cysteinate(2-).
inchikey: XUJNEKJLAYXESH-UWTATZPHSA-L
has OBO namespace: chebi_ontology
in subset: 3 STAR

D-cysteinium
type: Class
subclass of: cysteinium
has related synonym: (1S)-1-carboxy-2-mercaptoethanaminium
has related synonym: (1S)-1-carboxy-2-sulfanylethanaminium
charge: +1
monoisotopicmass: 122.028
mass: 122.16716
formula: C3H8NO2S
id: CHEBI:32451
has related synonym: D-cysteine cation
has exact synonym: D-cysteinium
has db xref: Gmelin:363237
inchi: InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/p+1/t2-/m1/s1
IAO_0000115: The D-enantiomer of cysteinium.
inchikey: XUJNEKJLAYXESH-UWTATZPHSA-O
smiles: [NH3+][C@H](CS)C(O)=O
has OBO namespace: chebi_ontology
in subset: 3 STAR

cysteinate(1-)
type: Class
subclass of: alpha-amino-acid anion
subclass of: sulfur-containing amino-acid anion
charge: -1
monoisotopicmass: 120.012
mass: 120.15128
has related synonym: 2-amino-3-mercaptopropanoate
has related synonym: 2-amino-3-sulfanylpropanoate
IAO_0000115: A sulfur-containing amino-acid anion that is the conjugate base of cysteine, obtained by deprotonation of the carboxy group.
has db xref: Beilstein:4128885
formula: C3H6NO2S
id: CHEBI:32456
has db xref: Gmelin:363235
inchi: InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/p-1
smiles: NC(CS)C([O-])=O
has db xref: Reaxys:4128885
inchikey: XUJNEKJLAYXESH-UHFFFAOYSA-M
has OBO namespace: chebi_ontology
has related synonym: cys(-)
has exact synonym: cysteinate(1-)
has related synonym: cysteine monoanion
has exact synonym: hydrogen cysteinate
in subset: 3 STAR

cysteinate(2-)
type: Class
subclass of: alpha-amino-acid anion
charge: -2
monoisotopicmass: 119.004
mass: 119.14334
has related synonym: 2-amino-3-sulfidopropanoate
formula: C3H5NO2S
id: CHEBI:32457
has db xref: Gmelin:49990
inchi: InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/p-2
smiles: NC(C[S-])C([O-])=O
inchikey: XUJNEKJLAYXESH-UHFFFAOYSA-L
has OBO namespace: chebi_ontology
has exact synonym: cysteinate
has exact synonym: cysteinate(2-)
has related synonym: cysteine dianion
in subset: 3 STAR

cysteinium
type: Class
subclass of: alpha-amino-acid cation
charge: +1
has related synonym: 1-carboxy-2-mercaptoethanaminium
has exact synonym: 1-carboxy-2-sulfanylethanaminium
monoisotopicmass: 122.028
mass: 122.16716
formula: C3H8NO2S
id: CHEBI:32458
has db xref: Gmelin:325859
has related synonym: H2cys(+)
inchi: InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/p+1
inchikey: XUJNEKJLAYXESH-UHFFFAOYSA-O
smiles: [NH3+]C(CS)C(O)=O
has OBO namespace: chebi_ontology
has related synonym: cysteine cation
has exact synonym: cysteinium
in subset: 3 STAR

phenylalaninate
type: Class
subclass of: alpha-amino-acid anion
subclass of: aromatic amino-acid anion
charge: -1
monoisotopicmass: 164.071
mass: 164.18120
has related synonym: 2-amino-3-phenylpropanoate
IAO_0000115: An aromatic amino-acid anion that is the conjugate base of phenylalanine, arising from deprotonation of the carboxy group.
formula: C9H10NO2
id: CHEBI:32504
inchikey: COLNVLDHVKWLRT-UHFFFAOYSA-M
has db xref: Gmelin:329083
inchi: InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/p-1
smiles: NC(Cc1ccccc1)C([O-])=O
has OBO namespace: chebi_ontology
has exact synonym: phenylalaninate
has related synonym: phenylalanine anion
in subset: 3 STAR

phenylalaninium
type: Class
subclass of: alpha-amino-acid cation
charge: +1
has related synonym: 1-carboxy-2-phenylethanaminium
monoisotopicmass: 166.087
mass: 166.19710
IAO_0000115: An alpha-amino-acid cation that is the conjugate acid of phenylalanine, arising from protonation of the amino group.
formula: C9H12NO2
id: CHEBI:32505
inchikey: COLNVLDHVKWLRT-UHFFFAOYSA-O
inchi: InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/p+1
smiles: [NH3+]C(Cc1ccccc1)C(O)=O
has OBO namespace: chebi_ontology
has related synonym: phenylalanine cation
has exact synonym: phenylalaninium
in subset: 3 STAR

glycinium
type: Class
subclass of: alpha-amino-acid cation
charge: +1
monoisotopicmass: 76.040
mass: 76.07458
IAO_0000115: An alpha-amino-acid cation that is the conjugate acid of glycine, arising from protonation of the amino.
formula: C2H6NO2
id: CHEBI:32507
inchikey: DHMQDGOQFOQNFH-UHFFFAOYSA-O
has db xref: Gmelin:323509
has related synonym: H2gly(+)
inchi: InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)/p+1
has related synonym: NH3(+)-CH2-COOH
smiles: [NH3+]CC(O)=O
has related synonym: carboxymethanaminium
has OBO namespace: chebi_ontology
has related synonym: glycine cation
has exact synonym: glycinium
in subset: 3 STAR

glycinate
type: Class
subclass of: alpha-amino-acid anion
charge: -1
monoisotopicmass: 74.024
mass: 74.05870
IAO_0000115: An alpha-amino-acid anion that is the conjugate base of glycine, arising from deprotonation of the carboxy group.
has db xref: Beilstein:1852023
formula: C2H4NO2
id: CHEBI:32508
inchikey: DHMQDGOQFOQNFH-UHFFFAOYSA-M
has db xref: Gmelin:81890
has related synonym: H2N-CH2-COO(-)
inchi: InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)/p-1
smiles: NCC([O-])=O
has db xref: Reaxys:1852023
has db xref: UM-BBD_compID:c0559
has related synonym: aminoacetate
has OBO namespace: chebi_ontology
has related synonym: gly(-)
has exact synonym: glycinate
has related synonym: glycine anion
in subset: 3 STAR

histidinate(1-)
type: Class
subclass of: alpha-amino-acid anion
charge: -1
monoisotopicmass: 154.062
mass: 154.14660
has related synonym: 2-amino-3-(1H-imidazol-4-yl)propanoate
has db xref: Beilstein:3959092
formula: C6H8N3O2
id: CHEBI:32529
has db xref: Gmelin:364417
inchikey: HNDVDQJCIGZPNO-UHFFFAOYSA-M
inchi: InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/p-1
smiles: NC(Cc1c[nH]cn1)C([O-])=O
has OBO namespace: chebi_ontology
has exact synonym: histidinate(1-)
has related synonym: histidine anion
has exact synonym: hydrogen histidinate
in subset: 3 STAR

histidinate(2-)
type: Class
subclass of: alpha-amino-acid anion
charge: -2
monoisotopicmass: 153.054
mass: 153.13880
has related synonym: 2-amino-3-imidazol-1-id-4-ylpropanoate
formula: C6H7N3O2
id: CHEBI:32530
inchi: InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H2,8,9,10,11)/p-2
smiles: NC(Cc1c[n-]cn1)C([O-])=O
inchikey: TWRZMXZXJKNOLO-UHFFFAOYSA-L
has OBO namespace: chebi_ontology
has exact synonym: histidinate
has exact synonym: histidinate(2-)
has related synonym: histidine dianion
in subset: 3 STAR

histidinium(1+)
type: Class
subclass of: alpha-amino-acid cation
charge: +1
monoisotopicmass: 156.077
mass: 156.16262
has related synonym: 2-ammonio-3-(1H-imidazol-3-ium-4-yl)propanoate
formula: C6H10N3O2
id: CHEBI:32531
inchikey: HNDVDQJCIGZPNO-UHFFFAOYSA-O
inchi: InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/p+1
smiles: [NH3+]C(Cc1c[nH]c[nH+]1)C([O-])=O
has OBO namespace: chebi_ontology
has related synonym: histidine monocation
has exact synonym: histidinium
has exact synonym: histidinium(1+)
in subset: 3 STAR

histidinium(2+)
type: Class
subclass of: alpha-amino-acid cation
charge: +2
monoisotopicmass: 157.085
mass: 157.17056
has related synonym: 4-(2-ammonio-2-carboxyethyl)-1H-imidazol-3-ium
formula: C6H11N3O2
id: CHEBI:32532
has db xref: Gmelin:1151904
inchikey: HNDVDQJCIGZPNO-UHFFFAOYSA-P
inchi: InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/p+2
smiles: [NH3+]C(Cc1c[nH]c[nH+]1)C(O)=O
has OBO namespace: chebi_ontology
has related synonym: histidine dication
has exact synonym: histidinediium
has exact synonym: histidinium(2+)
in subset: 3 STAR

lysinate
type: Class
subclass of: alpha-amino-acid anion
charge: -1
monoisotopicmass: 145.098
mass: 145.17970
has related synonym: 2,6-diaminohexanoate
IAO_0000115: An alpha-amino-acid anion that is the conjugate base of lysine, arising from deprotonation of the carboxy group.
formula: C6H13N2O2
id: CHEBI:32563
has db xref: Gmelin:815095
inchi: InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/p-1
inchikey: KDXKERNSBIXSRK-UHFFFAOYSA-M
smiles: NCCCCC(N)C([O-])=O
has OBO namespace: chebi_ontology
has related synonym: lys(-)
has exact synonym: lysinate
has related synonym: lysinate(1-)
has related synonym: lysine anion
in subset: 3 STAR

lysinium(1+)
type: Class
subclass of: alpha-amino-acid cation
charge: +1
monoisotopicmass: 147.113
mass: 147.19558
has related synonym: 2,6-diammoniohexanoate
IAO_0000115: An alpha-amino-acid cation that is the conjugate acid of lysine, having two cationic amino groups and an anionic carboxy group.
formula: C6H15N2O2
id: CHEBI:32564
inchi: InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/p+1
inchikey: KDXKERNSBIXSRK-UHFFFAOYSA-O
smiles: [NH3+]CCCCC([NH3+])C([O-])=O
has OBO namespace: chebi_ontology
has related synonym: lysine monocation
has exact synonym: lysinium
has exact synonym: lysinium(1+)
in subset: 3 STAR

lysinium(2+)
type: Class
subclass of: alpha-amino-acid cation
charge: +2
has related synonym: 1-carboxypentane-1,5-diaminium
monoisotopicmass: 148.121
mass: 148.20352
IAO_0000115: An alpha-amino-acid cation obtained by protonation of both amino groups of lysine.
formula: C6H16N2O2
id: CHEBI:32565
inchi: InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/p+2
inchikey: KDXKERNSBIXSRK-UHFFFAOYSA-P
smiles: [NH3+]CCCCC([NH3+])C(O)=O
has OBO namespace: chebi_ontology
has related synonym: lysine dication
has exact synonym: lysinediium
has exact synonym: lysinium(2+)
in subset: 3 STAR

isoleucinate
type: Class
subclass of: alpha-amino-acid anion
id: CHEBI:32612
has db xref: Gmelin:101585
has OBO namespace: chebi_ontology
has related synonym: ile(-)
has exact synonym: isoleucinate
has related synonym: isoleucine anion
has related synonym: rel-(2R,3R)-2-amino-3-methylpentanoate
in subset: 3 STAR

isoleucinium
type: Class
subclass of: alpha-amino-acid cation
id: CHEBI:32613
has db xref: Gmelin:1651827
has related synonym: H2ile(+)
has OBO namespace: chebi_ontology
has related synonym: isoleucine cation
has exact synonym: isoleucinium
has related synonym: rel-(1R,2R)-1-carboxy-2-methylbutan-1-aminium
in subset: 3 STAR

leucinate
type: Class
subclass of: alpha-amino-acid anion
subclass of: branched-chain amino-acid anion
charge: -1
monoisotopicmass: 130.087
mass: 130.16502
has related synonym: 2-amino-4-methylpentanoate
IAO_0000115: An alpha-amino-acid anion that is the conjugate base of leucine, arising from deprotonation of the carboxy group.
formula: C6H12NO2
smiles: CC(C)CC(N)C([O-])=O
id: CHEBI:32627
inchi: InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/p-1
inchikey: ROHFNLRQFUQHCH-UHFFFAOYSA-M
has db xref: Reaxys:5245805
has OBO namespace: chebi_ontology
has related synonym: leu(-)
has exact synonym: leucinate
has related synonym: leucine anion
in subset: 3 STAR

leucinium
type: Class
subclass of: alpha-amino-acid cation
charge: +1
has related synonym: 1-carboxy-3-methylbutan-1-aminium
monoisotopicmass: 132.102
mass: 132.18090
IAO_0000115: An alpha-amino-acid cation that is the conjugate acid of leucine, arising from protonation of the amino group.
formula: C6H14NO2
smiles: CC(C)CC([NH3+])C(O)=O
id: CHEBI:32628
has db xref: Gmelin:1651836
has related synonym: H2leu(+)
inchi: InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/p+1
inchikey: ROHFNLRQFUQHCH-UHFFFAOYSA-O
has OBO namespace: chebi_ontology
has related synonym: leucine cation
has exact synonym: leucinium
in subset: 3 STAR

methioninate
type: Class
subclass of: alpha-amino-acid anion
subclass of: sulfur-containing amino-acid anion
charge: -1
monoisotopicmass: 148.043
mass: 148.20444
has related synonym: 2-amino-4-(methylsulfanyl)butanoate
IAO_0000115: A sulfur-containing amino-acid anion that is the conjugate base of methionine, arising from deprotonation of the carboxy group.
has db xref: Beilstein:3937270
formula: C5H10NO2S
id: CHEBI:32644
smiles: CSCCC(N)C([O-])=O
inchikey: FFEARJCKVFRZRR-UHFFFAOYSA-M
has db xref: Gmelin:326565
inchi: InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/p-1
has db xref: Reaxys:3937270
has OBO namespace: chebi_ontology
has related synonym: met(-)
has exact synonym: methioninate
has related synonym: methionine anion
in subset: 3 STAR

methioninium
type: Class
subclass of: alpha-amino-acid cation
charge: +1
has related synonym: 1-carboxy-3-(methylsulfanyl)propan-1-aminium
monoisotopicmass: 150.059
mass: 150.22032
IAO_0000115: A sulfur-containing amino-acid anion that is the conjugate acid of methionine, arising from protonation of the amino group.
formula: C5H12NO2S
id: CHEBI:32646
smiles: CSCCC([NH3+])C(O)=O
inchikey: FFEARJCKVFRZRR-UHFFFAOYSA-O
has db xref: Gmelin:326567
has related synonym: H2met(+)
inchi: InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/p+1
has OBO namespace: chebi_ontology
has related synonym: methionine cation
has exact synonym: methioninium
in subset: 3 STAR

asparaginate
type: Class
subclass of: alpha-amino-acid anion
charge: -1
monoisotopicmass: 131.046
mass: 131.11006
has related synonym: 2,4-diamino-4-oxobutanoate
IAO_0000115: An alpha-amino-acid anion that is the conjugate base of asparagine, arising from deprotonation of the carboxy group.
formula: C4H7N2O3
id: CHEBI:32660
inchikey: DCXYFEDJOCDNAF-UHFFFAOYSA-M
has db xref: Gmelin:327370
inchi: InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/p-1
smiles: NC(CC(N)=O)C([O-])=O
has related synonym: asp(-)
has exact synonym: asparaginate
has related synonym: asparagine anion
has OBO namespace: chebi_ontology
in subset: 3 STAR

asparaginium
type: Class
subclass of: alpha-amino-acid cation
charge: +1
monoisotopicmass: 133.061
mass: 133.12594
has related synonym: 3-amino-1-carboxy-3-oxopropan-1-aminium
formula: C4H9N2O3
id: CHEBI:32661
inchikey: DCXYFEDJOCDNAF-UHFFFAOYSA-O
has related synonym: H2asp(+)
inchi: InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/p+1
smiles: NC(=O)CC([NH3+])C(O)=O
has related synonym: asparagine cation
has exact synonym: asparaginium
has OBO namespace: chebi_ontology
in subset: 3 STAR

glutaminate
type: Class
subclass of: alpha-amino-acid anion
charge: -1
monoisotopicmass: 145.061
mass: 145.13664
has related synonym: 2,5-diamino-5-oxopentanoate
IAO_0000115: An alpha-amino-acid anion that is the conjugate base of glutamine, arising from deprotonation of the carboxy group.
formula: C5H9N2O3
id: CHEBI:32678
has db xref: Gmelin:464703
inchi: InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/p-1
smiles: NC(CCC(N)=O)C([O-])=O
inchikey: ZDXPYRJPNDTMRX-UHFFFAOYSA-M
has OBO namespace: chebi_ontology
has related synonym: gln(-)
has exact synonym: glutaminate
has related synonym: glutamine anion
in subset: 3 STAR

glutaminium
type: Class
subclass of: alpha-amino-acid cation
charge: +1
monoisotopicmass: 147.077
mass: 147.15252
has related synonym: 4-amino-1-carboxy-4-oxobutan-1-aminium
IAO_0000115: An alpha-amino-acid cation that is the conjugate acid of glutamine, arising from protonation of the amino group.
formula: C5H11N2O3
id: CHEBI:32679
has related synonym: H2gln(+)
inchi: InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/p+1
smiles: NC(=O)CCC([NH3+])C(O)=O
inchikey: ZDXPYRJPNDTMRX-UHFFFAOYSA-O
has OBO namespace: chebi_ontology
has related synonym: glutamine cation
has exact synonym: glutaminium
in subset: 3 STAR

argininate
type: Class
subclass of: alpha-amino-acid anion
charge: -1
monoisotopicmass: 173.104
mass: 173.19318
has related synonym: 2-amino-5-(carbamimidamido)pentanoate
has related synonym: 2-amino-5-guanidinopentanoate
formula: C6H13N4O2
id: CHEBI:32695
has db xref: Gmelin:603497
inchi: InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p-1
smiles: NC(CCCNC(N)=N)C([O-])=O
inchikey: ODKSFYDXXFIFQN-UHFFFAOYSA-M
has related synonym: arg(-)
has exact synonym: argininate
has related synonym: arginine anion
has OBO namespace: chebi_ontology
in subset: 3 STAR

argininium(1+)
type: Class
subclass of: alpha-amino-acid cation
charge: +1
monoisotopicmass: 175.120
mass: 175.20906
has related synonym: 2-ammonio-5-guanidiniopentanoate
formula: C6H15N4O2
id: CHEBI:32696
has db xref: Gmelin:1345599
has related synonym: H2arg(+)
inchi: InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+1
smiles: NC(=[NH2+])NCCCC([NH3+])C([O-])=O
inchikey: ODKSFYDXXFIFQN-UHFFFAOYSA-O
has related synonym: arginine
has related synonym: arginine monocation
has exact synonym: argininium
has exact synonym: argininium(1+)
has OBO namespace: chebi_ontology
in subset: 3 STAR

argininium(2+)
type: Class
subclass of: alpha-amino-acid cation
has related synonym: (1-carboxy-4-guanidiniobutyl)ammonium
charge: +2
monoisotopicmass: 176.127
mass: 176.21700
formula: C6H16N4O2
id: CHEBI:32697
has related synonym: H3arg(2+)
inchi: InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+2
smiles: NC(=[NH2+])NCCCC([NH3+])C(O)=O
inchikey: ODKSFYDXXFIFQN-UHFFFAOYSA-P
has related synonym: arginine dication
has exact synonym: argininediium
has exact synonym: argininium(2+)
has OBO namespace: chebi_ontology
in subset: 3 STAR

tryptophanate
type: Class
subclass of: alpha-amino-acid anion
charge: -1
has related synonym: 2-amino-3-(1H-indol-3-yl)propanoate
monoisotopicmass: 203.082
mass: 203.21732
IAO_0000115: An alpha-amino-acid anion that is the conjugate base of tryptophan, arising from deprotonation of the carboxy group.
has db xref: Beilstein:4144997
formula: C11H11N2O2
id: CHEBI:32727
has db xref: Gmelin:331342
inchi: InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/p-1
smiles: NC(Cc1c[nH]c2ccccc12)C([O-])=O
inchikey: QIVBCDIJIAJPQS-UHFFFAOYSA-M
has db xref: Reaxys:4144998
has OBO namespace: chebi_ontology
has related synonym: trp(-)
has related synonym: tryptophan anion
has exact synonym: tryptophanate
in subset: 3 STAR

tryptophanium
type: Class
subclass of: alpha-amino-acid cation
charge: +1
has related synonym: 1-carboxy-2-(1H-indol-3-yl)ethanaminium
monoisotopicmass: 205.098
mass: 205.23320
IAO_0000115: An alpha-amino-acid cation that is the conjugate acid of tryptophan, arising from protonation of the alpha-amino group.
formula: C11H13N2O2
id: CHEBI:32728
has related synonym: Htrp(+)
inchi: InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/p+1
inchikey: QIVBCDIJIAJPQS-UHFFFAOYSA-O
smiles: [NH3+]C(Cc1c[nH]c2ccccc12)C(O)=O
has OBO namespace: chebi_ontology
has related synonym: tryptophan cation
has exact synonym: tryptophanium
in subset: 3 STAR

tyrosinate(1-)
type: Class
subclass of: alpha-amino-acid anion
charge: -1
monoisotopicmass: 180.066
mass: 180.18064
has related synonym: 2-amino-3-(4-hydroxyphenyl)propanoate
IAO_0000115: An alpha-amino-acid anion that is the conjugate base of tyrosine, arising from deprotonation of the carboxy group.
has db xref: Beilstein:3548387
has db xref: Beilstein:4139515
formula: C9H10NO3
id: CHEBI:32784
has db xref: Gmelin:329372
inchi: InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/p-1
smiles: NC(Cc1ccc(O)cc1)C([O-])=O
inchikey: OUYCCCASQSFEME-UHFFFAOYSA-M
has OBO namespace: chebi_ontology
has exact synonym: hydrogen tyrosinate
has exact synonym: tyrosinate(1-)
has related synonym: tyrosine anion
in subset: 3 STAR

tyrosinate(2-)
type: Class
subclass of: alpha-amino-acid anion
charge: -2
monoisotopicmass: 179.058
mass: 179.17270
has related synonym: 2-amino-3-(4-oxidophenyl)propanoate
formula: C9H9NO3
id: CHEBI:32785
inchi: InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/p-2
smiles: NC(Cc1ccc([O-])cc1)C([O-])=O
inchikey: OUYCCCASQSFEME-UHFFFAOYSA-L
has OBO namespace: chebi_ontology
has exact synonym: tyrosinate
has exact synonym: tyrosinate(2-)
has related synonym: tyrosine dianion
in subset: 3 STAR

tyrosinium
type: Class
subclass of: alpha-amino-acid cation
charge: +1
has related synonym: 1-carboxy-2-(4-hydroxyphenyl)ethanaminium
monoisotopicmass: 182.082
mass: 182.19652
IAO_0000115: An alpha-amino-acid cation that is the conjugate acid of tyrosine, arising from protonation of the amino group.
formula: C9H12NO3
id: CHEBI:32786
inchi: InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/p+1
inchikey: OUYCCCASQSFEME-UHFFFAOYSA-O
smiles: [NH3+]C(Cc1ccc(O)cc1)C(O)=O
has OBO namespace: chebi_ontology
has related synonym: tyrosine cation
has exact synonym: tyrosinium
in subset: 3 STAR

(R)-2-hydroxyglutaric acid
type: Class
subclass of: 2-hydroxyglutaric acid
has exact synonym: (2R)-2-hydroxypentanedioic acid
has related synonym: (R)-2-Hydroxyglutarate
has related synonym: (R)-Hydroxyglutarate
charge: 0
monoisotopicmass: 148.037
mass: 148.11402
has db xref: Beilstein:1723806
formula: C5H8O5
has alternative id: CHEBI:18651
has alternative id: CHEBI:310
id: CHEBI:32796
has alternative id: CHEBI:339
inchikey: HWXBTNAVRSUOJR-GSVOUGTGSA-N
inchi: InChI=1S/C5H8O5/c6-3(5(9)10)1-2-4(7)8/h3,6H,1-2H2,(H,7,8)(H,9,10)/t3-/m1/s1
has db xref: KEGG:C01087
has db xref: KEGG:C02911
has db xref: MetaCyc:R-2-HYDROXYGLUTARATE
smiles: O[C@H](CCC(O)=O)C(O)=O
has db xref: Reaxys:1723806
IAO_0000115: The (R)-enantiomer of 2-hydroxyglutaric acid.
has OBO namespace: chebi_ontology
in subset: 3 STAR

(S)-2-hydroxyglutaric acid
type: Class
subclass of: 2-hydroxyglutaric acid
has exact synonym: (2S)-2-hydroxypentanedioic acid
has related synonym: (S)-2-Hydroxyglutarate
charge: 0
monoisotopicmass: 148.037
mass: 148.11402
has db xref: Beilstein:1723807
formula: C5H8O5
has db xref: CAS:13095-48-2
has alternative id: CHEBI:18739
id: CHEBI:32797
has alternative id: CHEBI:380
has db xref: Gmelin:1218919
inchikey: HWXBTNAVRSUOJR-VKHMYHEASA-N
inchi: InChI=1S/C5H8O5/c6-3(5(9)10)1-2-4(7)8/h3,6H,1-2H2,(H,7,8)(H,9,10)/t3-/m0/s1
has db xref: KEGG:C03196
has db xref: MetaCyc:CPD-381
smiles: O[C@@H](CCC(O)=O)C(O)=O
has db xref: Reaxys:1723807
has OBO namespace: chebi_ontology
in subset: 3 STAR

pyruvic acid
type: Class
subclass of: 2-oxo monocarboxylic acid
charge: 0
has related synonym: 2-Oxopropanoic acid
has related synonym: 2-Oxopropansaeure
has related synonym: 2-Oxopropionsaeure
has related synonym: 2-ketopropionic acid
has related synonym: 2-oxopropanoic acid
has exact synonym: 2-oxopropanoic acid
monoisotopicmass: 88.016
mass: 88.06206
IAO_0000115: A 2-oxo monocarboxylic acid that is the 2-keto derivative of propionic acid. It is a metabolite obtained during glycolysis.
has related synonym: Acetylformic acid
has related synonym: BTS
has db xref: Beilstein:506211
has related synonym: Brenztraubensaeure
formula: C3H4O3
has db xref: CAS:127-17-3
smiles: CC(=O)C(O)=O
has related synonym: CH3COCOOH
has alternative id: CHEBI:26466
id: CHEBI:32816
has alternative id: CHEBI:45253
has alternative id: CHEBI:8685
has db xref: DrugBank:DB00119
has db xref: ECMDB:ECMDB00243
has db xref: Gmelin:101087
has db xref: HMDB:HMDB0000243
inchi: InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)
has db xref: KEGG:C00022
has db xref: KNApSAcK:C00001200
inchikey: LCTONWCANYUPML-UHFFFAOYSA-N
has db xref: LIPID_MAPS_instance:LMFA01060077
has db xref: MetaCyc:PYRUVATE
has db xref: PDBeChem:PYR
has db xref: PMID:11762589
has db xref: PMID:19260671
has db xref: PMID:22150460
has db xref: PMID:22233273
has db xref: PMID:22735334
has db xref: PMID:22770225
has exact synonym: PYRUVIC ACID
has related synonym: Pyroracemic acid
has exact synonym: Pyruvic acid
has db xref: Reaxys:506211
has db xref: Wikipedia:Pyruvic_acid
has db xref: YMDB:YMDB00175
has related synonym: acetylformic acid
has related synonym: acide pyruvique
has related synonym: alpha-Oxopropionsaeure
has related synonym: alpha-ketopropionic acid
has OBO namespace: chebi_ontology
has exact synonym: pyruvic acid
in subset: 3 STAR

threoninate
type: Class
subclass of: alpha-amino-acid anion
formula: C4H8NO3
id: CHEBI:32832
has OBO namespace: chebi_ontology
has related synonym: rel-(2R,3S)-2-amino-3-hydroxybutanoate
has exact synonym: threoninate
has related synonym: threonine anion
in subset: 3 STAR

threoninium
type: Class
subclass of: alpha-amino-acid cation
formula: C4H10NO3
id: CHEBI:32833
has OBO namespace: chebi_ontology
has related synonym: rel-(1R,2S)-1-carboxy-2-hydroxypropan-1-aminium
has related synonym: threonine cation
has exact synonym: threoninium
in subset: 3 STAR

serinate
type: Class
subclass of: alpha-amino-acid anion
charge: -1
monoisotopicmass: 104.035
mass: 104.08468
has related synonym: 2-amino-3-hydroxypropanoate
IAO_0000115: An alpha-amino-acid anion that is the conjugate base of serine.
formula: C3H6NO3
id: CHEBI:32845
has db xref: Gmelin:324692
inchi: InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/p-1
inchikey: MTCFGRXMJLQNBG-UHFFFAOYSA-M
smiles: NC(CO)C([O-])=O
has OBO namespace: chebi_ontology
has exact synonym: serinate
has related synonym: serine anion
in subset: 3 STAR

serinium
type: Class
subclass of: alpha-amino-acid cation
charge: +1
has related synonym: 1-carboxy-2-hydroxyethanaminium
monoisotopicmass: 106.050
mass: 106.10056
IAO_0000115: An alpha-amino-acid cation that is the conjugate acid of serine.
formula: C3H8NO3
id: CHEBI:32846
has db xref: Gmelin:1925675
inchi: InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/p+1
inchikey: MTCFGRXMJLQNBG-UHFFFAOYSA-O
smiles: [NH3+]C(CO)C(O)=O
has OBO namespace: chebi_ontology
has related synonym: serine cation
has exact synonym: serinium
in subset: 3 STAR

valinate
type: Class
subclass of: alpha-amino-acid anion
subclass of: branched-chain amino-acid anion
charge: -1
monoisotopicmass: 116.071
mass: 116.13844
has related synonym: 2-amino-3-methylbutanoate
formula: C5H10NO2
smiles: CC(C)C(N)C([O-])=O
id: CHEBI:32859
has db xref: Gmelin:49876
inchi: InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/p-1
inchikey: KZSNJWFQEVHDMF-UHFFFAOYSA-M
has OBO namespace: chebi_ontology
has related synonym: val(-)
has exact synonym: valinate
has related synonym: valine anion
in subset: 3 STAR

valinium
type: Class
subclass of: alpha-amino-acid cation
charge: +1
has related synonym: 1-carboxy-2-methylpropan-1-aminium
monoisotopicmass: 118.087
mass: 118.15432
formula: C5H12NO2
smiles: CC(C)C([NH3+])C(O)=O
id: CHEBI:32860
has db xref: Gmelin:1651060
has related synonym: H2val(+)
inchi: InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/p+1
inchikey: KZSNJWFQEVHDMF-UHFFFAOYSA-O
has OBO namespace: chebi_ontology
has related synonym: valine cation
has exact synonym: valinium
in subset: 3 STAR

L-prolinate
type: Class
subclass of: prolinate
subclass of: L-alpha-amino acid anion
has related synonym: (2S)-pyrrolidine-2-carboxylate
charge: -1
monoisotopicmass: 114.056
mass: 114.12250
IAO_0000115: An optically active form of prolinate having L-configuration.
has db xref: Beilstein:4307988
formula: C5H8NO2
id: CHEBI:32862
has db xref: Gmelin:82610
inchi: InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/p-1/t4-/m0/s1
has exact synonym: L-prolinate
has related synonym: L-proline anion
inchikey: ONIBWKKTOPOVIA-BYPYZUCNSA-M
has db xref: Reaxys:4307988
smiles: [O-]C(=O)[C@@H]1CCCN1
has OBO namespace: chebi_ontology
in subset: 3 STAR

L-prolinium
type: Class
subclass of: prolinium
has related synonym: (2S)-2-carboxypyrrolidinium
charge: +1
monoisotopicmass: 116.071
mass: 116.13840
IAO_0000115: An optically active form of prolinium having L-configuration.
formula: C5H10NO2
id: CHEBI:32864
has db xref: Gmelin:363493
inchi: InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/p+1/t4-/m0/s1
has related synonym: L-proline cation
has exact synonym: L-prolinium
smiles: OC(=O)[C@@H]1CCC[NH2+]1
inchikey: ONIBWKKTOPOVIA-BYPYZUCNSA-O
has OBO namespace: chebi_ontology
in subset: 3 STAR

D-prolinate
type: Class
subclass of: prolinate
has related synonym: (2R)-pyrrolidine-2-carboxylate
charge: -1
monoisotopicmass: 114.056
mass: 114.12250
IAO_0000115: An optically active form of prolinate having D-configuration.
formula: C5H8NO2
id: CHEBI:32867
has exact synonym: D-prolinate
has related synonym: D-proline anion
has db xref: Gmelin:533350
inchi: InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/p-1/t4-/m1/s1
inchikey: ONIBWKKTOPOVIA-SCSAIBSYSA-M
smiles: [O-]C(=O)[C@H]1CCCN1
has OBO namespace: chebi_ontology
in subset: 3 STAR

D-prolinium
type: Class
subclass of: prolinium
has related synonym: (2R)-2-carboxypyrrolidinium
charge: +1
monoisotopicmass: 116.071
mass: 116.13840
IAO_0000115: An optically active form of prolinium having D-configuration.
formula: C5H10NO2
id: CHEBI:32868
has related synonym: D-proline cation
has exact synonym: D-prolinium
has db xref: Gmelin:363492
inchi: InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/p+1/t4-/m1/s1
smiles: OC(=O)[C@H]1CCC[NH2+]1
inchikey: ONIBWKKTOPOVIA-SCSAIBSYSA-O
has OBO namespace: chebi_ontology
in subset: 3 STAR

prolinate
type: Class
subclass of: alpha-amino-acid anion
charge: -1
monoisotopicmass: 114.056
mass: 114.12256
IAO_0000115: An alpha-amino-acid anion that is the conjugate base of proline, arising from deprotonation of the carboxy group.
has db xref: Beilstein:5387795
formula: C5H8NO2
id: CHEBI:32871
has db xref: Gmelin:50151
inchi: InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/p-1
inchikey: ONIBWKKTOPOVIA-UHFFFAOYSA-M
has db xref: Reaxys:5387795
smiles: [O-]C(=O)C1CCCN1
has OBO namespace: chebi_ontology
has related synonym: pro(-)
has exact synonym: prolinate
has related synonym: proline anion
has related synonym: pyrrolidine-2-carboxylate
in subset: 3 STAR

prolinium
type: Class
subclass of: alpha-amino-acid cation
charge: +1
monoisotopicmass: 116.071
mass: 116.13840
has related synonym: 2-carboxypyrrolidinium
IAO_0000115: An alpha-amino-acid cation that is the conjugate acid of proline, arising from protonation of the amino group.
formula: C5H10NO2
id: CHEBI:32872
has related synonym: H2pro(+)
inchi: InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/p+1
smiles: OC(=O)C1CCC[NH2+]1
inchikey: ONIBWKKTOPOVIA-UHFFFAOYSA-O
has OBO namespace: chebi_ontology
has related synonym: proline cation
has exact synonym: prolinium
in subset: 3 STAR

tertiary amine
type: Class
subclass of: amine
subclass of: tertiary amino compound
charge: 0
monoisotopicmass: 14.003
mass: 14.00670
IAO_0000115: A compound formally derived from ammonia by replacing three hydrogen atoms by hydrocarbyl groups.
has alternative id: CHEBI:26879
id: CHEBI:32876
has alternative id: CHEBI:9458
has db xref: KEGG:C02196
formula: NR3
has related synonym: R3N
has exact synonym: Tertiary amine
smiles: [*]N([*])[*]
has OBO namespace: chebi_ontology
has related synonym: tertiaeres Amin
has exact synonym: tertiary amines
in subset: 3 STAR

primary amine
type: Class
subclass of: amine
subclass of: primary amino compound
charge: 0
monoisotopicmass: 16.019
mass: 16.02260
IAO_0000115: A compound formally derived from ammonia by replacing one hydrogen atom by a hydrocarbyl group.
has alternative id: CHEBI:26263
has alternative id: CHEBI:26265
id: CHEBI:32877
has alternative id: CHEBI:8407
has alternative id: CHEBI:8409
formula: H2NR
has db xref: KEGG:C00375
has db xref: KEGG:C00893
has db xref: KEGG:C02580
smiles: N[*]
has exact synonym: Primary amine
has related synonym: Primary monoamine
has related synonym: R-NH2
has related synonym: RCH2NH2
has OBO namespace: chebi_ontology
has related synonym: primaeres Amin
has exact synonym: primary amines
in subset: 3 STAR

propane
type: Class
subclass of: gas molecular entity
subclass of: alkane
charge: 0
monoisotopicmass: 44.063
mass: 44.09562
inchikey: ATUOYWHBWRKTHZ-UHFFFAOYSA-N
has db xref: Beilstein:1730718
formula: C3H8
has db xref: CAS:74-98-6
smiles: CCC
has related synonym: CH3-CH2-CH3
id: CHEBI:32879
has related synonym: E944
has db xref: Gmelin:25044
inchi: InChI=1S/C3H8/c1-3-2/h3H2,1-2H3
has related synonym: Propan
has OBO namespace: chebi_ontology
has exact synonym: propane
in subset: 3 STAR

amine
type: Class
subclass of: organic amino compound
IAO_0000115: A compound formally derived from ammonia by replacing one, two or three hydrogen atoms by hydrocarbyl groups.
has related synonym: Amin
has exact synonym: Amine
has alternative id: CHEBI:13814
has alternative id: CHEBI:22474
has alternative id: CHEBI:2641
id: CHEBI:32952
has db xref: KEGG:C00706
has related synonym: Substituted amine
has exact synonym: amines
has OBO namespace: chebi_ontology
in subset: 3 STAR

sodium acetate
type: Class
subclass of: organic sodium salt
subclass of: Restriction
  on property: has part
  some values from: acetate
charge: 0
monoisotopicmass: 82.003
mass: 82.03379
has db xref: Beilstein:3595639
formula: C2H3NaO2
has db xref: CAS:127-09-3
id: CHEBI:32954
has db xref: Gmelin:20502
inchi: InChI=1S/C2H4O2.Na/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1
has related synonym: Natriumazetat
inchikey: VMHLLURERBWHNL-UHFFFAOYSA-M
has db xref: Wikipedia:Sodium_Acetate
smiles: [Na+].CC([O-])=O
has related synonym: acetic acid, sodium salt
has related synonym: anhydrous sodium acetate
has OBO namespace: chebi_ontology
has exact synonym: sodium acetate
has related synonym: sodium acetate anhydrous
in subset: 3 STAR

ornithinate
type: Class
subclass of: alpha-amino-acid anion
charge: -1
monoisotopicmass: 131.082
mass: 131.15312
has exact synonym: 2,5-diaminopentanoate
has related synonym: 2,5-diaminopentanoate
inchikey: AHLPHDHHMVZTML-UHFFFAOYSA-M
formula: C5H11N2O2
has alternative id: CHEBI:11448
has alternative id: CHEBI:19370
id: CHEBI:32964
has db xref: Gmelin:1242186
inchi: InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/p-1
smiles: NCCCC(N)C([O-])=O
has OBO namespace: chebi_ontology
has exact synonym: ornithinate
has related synonym: ornithine anion
in subset: 3 STAR

2-aminoethanesulfonate
type: Class
subclass of: 1,1-diunsubstituted alkanesulfonate
charge: -1
monoisotopicmass: 124.007
mass: 124.13998
has exact synonym: 2-aminoethanesulfonate
IAO_0000115: A 1,1-diunsubstituted alkanesulfonate that is ethanesulfonate substituted by an amino group at position 2.
has db xref: Beilstein:3588289
formula: C2H6NO3S
id: CHEBI:32970
inchi: InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)/p-1
smiles: NCCS([O-])(=O)=O
has db xref: Reaxys:3588289
inchikey: XOAAWQZATWQOTB-UHFFFAOYSA-M
has OBO namespace: chebi_ontology
in subset: 3 STAR

amide
type: Class
subclass of: nitrogen molecular entity
has exact synonym: Amide
IAO_0000115: An amide is a derivative of an oxoacid RkE(=O)l(OH)m (l =/= 0) in which an acidic hydroxy group has been replaced by an amino or substituted amino group.
has alternative id: CHEBI:22473
has alternative id: CHEBI:2633
id: CHEBI:32988
has db xref: KEGG:C00241
has exact synonym: amides
has OBO namespace: chebi_ontology
in subset: 3 STAR

diphosphate(1-)
type: Class
subclass of: diphosphate ion
subclass of: monovalent inorganic anion
charge: -1
monoisotopicmass: 176.935
mass: 176.96714
IAO_0000115: A monovalent inorganic anion obtained by deprotonation of one of the phosphate OH groups in diphosphoric acid.
id: CHEBI:33017
has db xref: Gmelin:185086
formula: H3O7P2
has related synonym: H3P2O7(-)
inchi: InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-1
smiles: OP(O)(=O)OP(O)([O-])=O
inchikey: XPPKVPWEQAFLFU-UHFFFAOYSA-M
has OBO namespace: chebi_ontology
has exact synonym: trihydrogen diphosphate
in subset: 3 STAR

diphosphate(3-)
type: Class
subclass of: diphosphate ion
subclass of: trivalent inorganic anion
charge: -3
monoisotopicmass: 174.920
mass: 174.95126
IAO_0000115: A trivalent inorganic anion obtained by removal of all three protons from diphosphoric acid.
has db xref: Beilstein:185088
id: CHEBI:33019
formula: HO7P2
has related synonym: HP2O7(3-)
inchi: InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-3
smiles: OP([O-])(=O)OP([O-])([O-])=O
inchikey: XPPKVPWEQAFLFU-UHFFFAOYSA-K
has OBO namespace: chebi_ontology
has related synonym: diphosphate
has exact synonym: hydrogen diphosphate
in subset: 3 STAR

calcium carbonate
type: Class
subclass of: calcium salt
subclass of: carbonate salt
subclass of: one-carbon compound
charge: 0
mass: 100.087
monoisotopicmass: 99.947
IAO_0000115: A calcium salt with formula CCaO3.
has db xref: BPDB:108
has db xref: CAS:471-34-1
formula: CCaO3
id: CHEBI:3311
formula: CO3.Ca
has related synonym: CaCO3
has exact synonym: Calcium carbonate
has related synonym: Calciumcarbonat
has db xref: DrugBank:DB06724
has related synonym: E 170
inchi: InChI=1S/CH2O3.Ca/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2
has db xref: KEGG:C08129
has db xref: KEGG:D00932
has related synonym: Kalziumkarbonat
has db xref: PPDB:108
has related synonym: Precipitated calcium carbonate
has db xref: Reaxys:8008338
inchikey: VTYYLEPIZMXCLO-UHFFFAOYSA-L
has db xref: Wikipedia:Calcium_carbonate
smiles: [Ca+2].C(=O)([O-])[O-]
has exact synonym: calcium carbonate
has related synonym: calcium carbonate (1:1)
has exact synonym: calcium trioxidocarbonate
has related synonym: carbonate de calcium
has related synonym: carbonato de calcio
has related synonym: carbonic acid calcium salt (1:1)
has OBO namespace: chebi_ontology
has related synonym: kohlensaurer Kalk
in subset: 3 STAR

bisphenol A
type: Class
subclass of: bisphenol
charge: 0
has related synonym: 2, 2-Bis(4-hydroxyphenyl)propane
has related synonym: 2,2-Bis(4'-hydroxyphenyl)propane
has related synonym: 2,2-Bis(4-Hydroxyphenyl)propane
has related synonym: 2,2-Bis(p-hydroxyphenyl)propane
has related synonym: 2,2-Di(4-hydroxyphenyl)propane
has related synonym: 2,2-Di(4-phenylol)propane
monoisotopicmass: 228.115
mass: 228.28634
has related synonym: 4,4'-(1-Methylethane-1,1-diyl)diphenol
has related synonym: 4,4'-(1-Methylethylidene)bisphenol
has related synonym: 4,4'-(Propane-2,2-diyl)diphenol
has exact synonym: 4,4'-(propane-2,2-diyl)diphenol
has related synonym: 4,4'-Bisphenol A
has related synonym: 4,4'-Isopropylidenediphenol
IAO_0000115: A bisphenol that is 4,4'-methanediyldiphenol in which the methylene hydrogens are replaced by two methyl groups.
has related synonym: BPA
has exact synonym: Bisphenol A
formula: C15H16O2
has db xref: CAS:80-05-7
smiles: CC(C)(c1ccc(O)cc1)c1ccc(O)cc1
has alternative id: CHEBI:22900
has alternative id: CHEBI:31295
id: CHEBI:33216
has alternative id: CHEBI:47094
has related synonym: Dianin's compound
has db xref: DrugBank:DB06973
has db xref: HMDB:HMDB0032133
inchikey: IISBACLAFKSPIT-UHFFFAOYSA-N
inchi: InChI=1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3
has db xref: KEGG:C13624
has db xref: LINCS:LSM-37080
has db xref: PMID:10593191
has db xref: PMID:11361040
has db xref: PMID:12860292
has db xref: PMID:15936980
has db xref: PMID:16904728
has db xref: PMID:24471646
has db xref: PMID:25042713
has db xref: PMID:25148994
has db xref: PMID:25524584
has db xref: PMID:25569640
has db xref: PMID:25637671
has db xref: PMID:25663485
has db xref: Reaxys:1107700
has db xref: UM-BBD_compID:c0764
has db xref: Wikipedia:Bisphenol_A
has exact synonym: bisphenol A
has related synonym: bisphenol-A
has OBO namespace: chebi_ontology
in subset: 3 STAR

chromane
type: Class
subclass of: chromanes
charge: 0
monoisotopicmass: 134.073
mass: 134.17510
has related synonym: 3,4-dihydro-2H-1-benzopyran
has exact synonym: 3,4-dihydro-2H-chromene
has related synonym: 3,4-dihydrobenzo[b]pyran
IAO_0000115: A benzopyran consisting of a pyran ring having a benzene ring ortho-fused across positions 2 and 3.
has db xref: Beilstein:116150
smiles: C1COc2ccccc2C1
formula: C9H10O
has db xref: CAS:493-08-3
id: CHEBI:33224
has related synonym: Chroman
has db xref: Gmelin:122981
inchi: InChI=1S/C9H10O/c1-2-6-9-8(4-1)5-3-7-10-9/h1-2,4,6H,3,5,7H2
has db xref: Reaxys:116150
inchikey: VZWXIQHBIQLMPN-UHFFFAOYSA-N
has OBO namespace: chebi_ontology
has exact synonym: chromane
in subset: 3 STAR

vitamin
type: Class
subclass of: micronutrient
subclass of: biochemical role
IAO_0000115: Any micronutrient that is an organic compound. The term "vitamines" (from vita + amines) was coined in 1912 by Casimir Funk, who believed that these compounds were amines.
has alternative id: CHEBI:10004
has alternative id: CHEBI:27305
id: CHEBI:33229
has exact synonym: Vitamin
has db xref: Wikipedia:Vitamin
has OBO namespace: chebi_ontology
has related synonym: vitamina
has related synonym: vitaminas
has related synonym: vitamine
has related synonym: vitamines
has related synonym: vitamins
has related synonym: vitaminum
in subset: 3 STAR

application
type: Class
subclass of: role
id: CHEBI:33232
IAO_0000115: Intended use of the molecular entity or part thereof by humans.
has OBO namespace: chebi_ontology
in subset: 3 STAR

fundamental particle
type: Class
subclass of: subatomic particle
IAO_0000115: A particle not known to have substructure.
id: CHEBI:33233
has OBO namespace: chebi_ontology
has exact synonym: elementary particle
has related synonym: elementary particles
in subset: 3 STAR

vitamin E
type: Class
subclass of: chromanol
IAO_0000115: A chromanol that is chroman-6-ol which is substituted at position 2 by a methyl group and (also at position 2) either a saturated or a triply-unsaturated hydrocarbon chain consisting of three isoprenoid units.
has db xref: CAS:59-02-9
id: CHEBI:33234
has db xref: MetaCyc:Vitamin-E
has db xref: PMID:7898412
has db xref: PMID:7901680
has db xref: Wikipedia:Vitamin_E
has OBO namespace: chebi_ontology
has exact synonym: vitamin E
in subset: 3 STAR

monoatomic entity
type: Class
subclass of: elemental molecular entity
IAO_0000115: A monoatomic entity is a molecular entity consisting of a single atom.
id: CHEBI:33238
has related synonym: atomic entity
has OBO namespace: chebi_ontology
has related synonym: monoatomic entities
in subset: 3 STAR

coordination entity
type: Class
subclass of: heteroatomic molecular entity
IAO_0000115: An assembly consisting of a central atom (usually metallic) to which is attached a surrounding array of other groups of atoms (ligands).
id: CHEBI:33240
has OBO namespace: chebi_ontology
has related synonym: coordination compounds
has exact synonym: coordination entities
has exact synonym: coordination entity
in subset: 3 STAR

oxoacid derivative
type: Class
subclass of: heteroatomic molecular entity
id: CHEBI:33241
has OBO namespace: chebi_ontology
has related synonym: oxoacid derivatives
in subset: 3 STAR

inorganic hydride
type: Class
subclass of: inorganic molecular entity
subclass of: hydrides
id: CHEBI:33242
has OBO namespace: chebi_ontology
has related synonym: inorganic hydrides
in subset: 3 STAR

organic fundamental parent
type: Class
subclass of: organic hydride
subclass of: organic molecular entity
IAO_0000115: An organic fundamental parent is a structure used as a basis for substitutive names in organic nomenclature, containing, in addition to one or more hydrogen atoms, a single atom of an element, a number of atoms (alike or different) linked together to form an unbranched chain, a monocyclic or polycyclic ring system, or a ring assembly or ring/chain system.
id: CHEBI:33245
has OBO namespace: chebi_ontology
has related synonym: organic fundamental parents
has related synonym: organic parent hydrides
in subset: 3 STAR

inorganic group
type: Class
subclass of: group
IAO_0000115: Any substituent group which does not contain carbon.
id: CHEBI:33246
has OBO namespace: chebi_ontology
has related synonym: inorganic groups
in subset: 3 STAR

organic group
type: Class
subclass of: group
IAO_0000115: Any substituent group or skeleton containing carbon.
id: CHEBI:33247
has OBO namespace: chebi_ontology
has related synonym: organic groups
in subset: 3 STAR

hydrocarbyl group
type: Class
subclass of: organyl group
IAO_0000115: A univalent group formed by removing a hydrogen atom from a hydrocarbon.
id: CHEBI:33248
has OBO namespace: chebi_ontology
has related synonym: groupe hydrocarbyle
has related synonym: grupo hidrocarbilo
has related synonym: grupos hidrocarbilo
has exact synonym: hydrocarbyl group
has exact synonym: hydrocarbyl groups
in subset: 3 STAR

organyl group
type: Class
subclass of: organic univalent group
IAO_0000115: Any organic substituent group, regardless of functional type, having one free valence at a carbon atom.
id: CHEBI:33249
has OBO namespace: chebi_ontology
has related synonym: groupe organyle
has related synonym: grupo organilo
has related synonym: grupos organilo
has exact synonym: organyl group
has exact synonym: organyl groups
in subset: 3 STAR

atom
type: Class
subclass of: chemical entity
subclass of: Restriction
  on property: has part
  some values from: atomic nucleus
subclass of: Restriction
  on property: has part
  some values from: electron
IAO_0000115: A chemical entity constituting the smallest component of an element having the chemical properties of the element.
has alternative id: CHEBI:22671
has alternative id: CHEBI:23907
id: CHEBI:33250
has exact synonym: atom
has related synonym: atome
has related synonym: atomo
has related synonym: atoms
has related synonym: atomus
has OBO namespace: chebi_ontology
has related synonym: element
has related synonym: elements
in subset: 3 STAR

atomic nucleus
type: Class
subclass of: nuclear particle
subclass of: Restriction
  on property: has part
  some values from: nucleon
IAO_0000115: A nucleus is the positively charged central portion of an atom, excluding the orbital electrons.
has related synonym: Atomkern
id: CHEBI:33252
has related synonym: Kern
has OBO namespace: chebi_ontology
has related synonym: noyau
has related synonym: noyau atomique
has related synonym: nuclei
has related synonym: nucleo
has related synonym: nucleo atomico
has exact synonym: nucleus
has related synonym: nucleus atomi
in subset: 3 STAR

nucleon
type: Class
subclass of: baryon
subclass of: nuclear particle
id: CHEBI:33253
IAO_0000115: Heavy nuclear particle: proton or neutron.
has related synonym: Nukleon
has related synonym: Nukleonen
has OBO namespace: chebi_ontology
has exact synonym: nucleon
has related synonym: nucleons
in subset: 3 STAR

primary amide
type: Class
subclass of: amide
IAO_0000115: A derivative of an oxoacid RkE(=O)l(OH)m (l =/= 0) in which an acidic hydroxy group has been replaced by an amino or substituted amino group.
id: CHEBI:33256
has OBO namespace: chebi_ontology
has exact synonym: primary amide
has exact synonym: primary amides
in subset: 3 STAR

elemental molecular entity
type: Class
subclass of: molecular entity
IAO_0000115: A molecular entity all atoms of which have the same atomic number.
id: CHEBI:33259
has OBO namespace: chebi_ontology
has related synonym: homoatomic entity
has related synonym: homoatomic molecular entities
has related synonym: homoatomic molecular entity
in subset: 3 STAR

elemental hydrogen
type: Class
subclass of: inorganic molecular entity
subclass of: elemental molecular entity
subclass of: hydrogen molecular entity
id: CHEBI:33260
has OBO namespace: chebi_ontology
in subset: 3 STAR

organosulfur compound
type: Class
subclass of: sulfur molecular entity
subclass of: organochalcogen compound
IAO_0000115: An organosulfur compound is a compound containing at least one carbon-sulfur bond.
has alternative id: CHEBI:23010
has alternative id: CHEBI:25714
id: CHEBI:33261
has db xref: Wikipedia:Organosulfur_compounds
has OBO namespace: chebi_ontology
has exact synonym: organosulfur compound
has related synonym: organosulfur compounds
in subset: 3 STAR

elemental oxygen
type: Class
subclass of: inorganic molecular entity
subclass of: oxygen molecular entity
subclass of: elemental molecular entity
id: CHEBI:33262
has OBO namespace: chebi_ontology
in subset: 3 STAR

diatomic oxygen
type: Class
subclass of: elemental oxygen
id: CHEBI:33263
formula: O2
has OBO namespace: chebi_ontology
in subset: 3 STAR

polyatomic anion
type: Class
subclass of: anion
subclass of: polyatomic ion
IAO_0000115: An anion consisting of more than one atom.
id: CHEBI:33273
has OBO namespace: chebi_ontology
has related synonym: polyatomic anions
in subset: 3 STAR

molecular messenger
type: Class
subclass of: biological role
id: CHEBI:33280
has OBO namespace: chebi_ontology
has related synonym: chemical messenger
in subset: 3 STAR

antimicrobial agent
type: Class
subclass of: biological role
IAO_0000115: A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
has related synonym: Antibiotika
has related synonym: Antibiotikum
has alternative id: CHEBI:22582
id: CHEBI:33281
has db xref: PMID:12964249
has db xref: PMID:22117953
has db xref: PMID:22439833
has db xref: PMID:22849268
has db xref: PMID:22849276
has db xref: PMID:22958833
has related synonym: antibiotic
has related synonym: antibiotics
has related synonym: antibiotique
has related synonym: antimicrobial
has related synonym: antimicrobial agents
has related synonym: antimicrobials
has OBO namespace: chebi_ontology
has related synonym: microbicide
has related synonym: microbicides
in subset: 3 STAR

antibacterial agent
type: Class
subclass of: antimicrobial agent
IAO_0000115: A substance that kills or slows the growth of bacteria.
id: CHEBI:33282
has related synonym: antibacterial agents
has related synonym: antibacterials
has related synonym: bactericide
has related synonym: bactericides
has OBO namespace: chebi_ontology
in subset: 3 STAR

nutrient
type: Class
subclass of: food component
IAO_0000115: A nutrient is a food component that an organism uses to survive and grow.
id: CHEBI:33284
has OBO namespace: chebi_ontology
has related synonym: nutrients
in subset: 3 STAR

heteroorganic entity
type: Class
subclass of: organic molecular entity
IAO_0000115: A heteroorganic entity is an organic molecular entity in which carbon atoms or organic groups are bonded directly to one or more heteroatoms.
id: CHEBI:33285
has OBO namespace: chebi_ontology
has related synonym: heteroorganic entities
has related synonym: organoelement compounds
in subset: 3 STAR

agrochemical
type: Class
subclass of: application
IAO_0000115: An agrochemical is a substance that is used in agriculture or horticulture.
id: CHEBI:33286
has db xref: Wikipedia:Agrochemical
has related synonym: agrichemical
has related synonym: agrichemicals
has related synonym: agricultural chemicals
has related synonym: agrochemicals
has OBO namespace: chebi_ontology
in subset: 3 STAR

fertilizer
type: Class
subclass of: agrochemical
IAO_0000115: A fertilizer is any substance that is added to soil or water to assist the growth of plants.
id: CHEBI:33287
has OBO namespace: chebi_ontology
has related synonym: fertiliser
has related synonym: fertilizers
in subset: 3 STAR

food
type: Class
subclass of: physiological role
subclass of: Restriction
  on property: has part
  some values from: food component
IAO_0000115: Any material that can be ingested by an organism.
id: CHEBI:33290
has OBO namespace: chebi_ontology
has related synonym: foods
has related synonym: foodstuff
has related synonym: foodstuffs
in subset: 3 STAR

fuel
type: Class
subclass of: application
IAO_0000115: An energy-rich substance that can be transformed with release of usable energy.
id: CHEBI:33292
has OBO namespace: chebi_ontology
in subset: 3 STAR

diagnostic agent
type: Class
subclass of: pharmaceutical
IAO_0000115: A substance administered to aid diagnosis of a disease.
id: CHEBI:33295
has OBO namespace: chebi_ontology
has related synonym: diagnostic aid
in subset: 3 STAR

alkali metal molecular entity
type: Class
subclass of: s-block molecular entity
subclass of: Restriction
  on property: has part
  some values from: alkali metal atom
IAO_0000115: A molecular entity containing one or more atoms of an alkali metal.
id: CHEBI:33296
has related synonym: alkali metal molecular entities
has OBO namespace: chebi_ontology
in subset: 3 STAR

alkaline earth molecular entity
type: Class
subclass of: s-block molecular entity
subclass of: Restriction
  on property: has part
  some values from: alkaline earth metal atom
IAO_0000115: An alkaline earth molecular entity is a molecular entity containing one or more atoms of an alkaline earth metal.
id: CHEBI:33299
has related synonym: alkaline earth compounds
has related synonym: alkaline earth molecular entities
has exact synonym: alkaline earth molecular entity
has related synonym: alkaline-earth compounds
has OBO namespace: chebi_ontology
in subset: 3 STAR

pnictogen
type: Class
subclass of: p-block element atom
IAO_0000115: Any p-block element atom that is in group 15 of the periodic table: nitrogen, phosphorus, arsenic, antimony and bismuth.
id: CHEBI:33300
has OBO namespace: chebi_ontology
has related synonym: group 15 elements
has related synonym: group V elements
has related synonym: nitrogenoideos
has related synonym: nitrogenoides
has related synonym: pnictogene
has related synonym: pnictogenes
has exact synonym: pnictogens
in subset: 3 STAR

pnictogen molecular entity
type: Class
subclass of: p-block molecular entity
subclass of: Restriction
  on property: has part
  some values from: pnictogen
IAO_0000115: A p-block molecular entity containing any pnictogen.
id: CHEBI:33302
has OBO namespace: chebi_ontology
has related synonym: pnictogen molecular entities
has exact synonym: pnictogen molecular entity
in subset: 3 STAR

chalcogen
type: Class
subclass of: p-block element atom
IAO_0000115: Any p-block element belonging to the group 16 family of the periodic table.
id: CHEBI:33303
has related synonym: Chalkogen
has related synonym: Chalkogene
has db xref: PMID:17084588
has related synonym: anfigeno
has related synonym: anfigenos
has related synonym: calcogeno
has related synonym: calcogenos
has exact synonym: chalcogen
has related synonym: chalcogene
has related synonym: chalcogenes
has exact synonym: chalcogens
has OBO namespace: chebi_ontology
has related synonym: group 16 elements
has related synonym: group VI elements
in subset: 3 STAR

chalcogen molecular entity
type: Class
subclass of: p-block molecular entity
subclass of: Restriction
  on property: has part
  some values from: chalcogen
IAO_0000115: Any p-block molecular entity containing a chalcogen.
id: CHEBI:33304
has related synonym: chalcogen compounds
has related synonym: chalcogen molecular entities
has exact synonym: chalcogen molecular entity
has OBO namespace: chebi_ontology
in subset: 3 STAR

carbon group element atom
type: Class
subclass of: p-block element atom
id: CHEBI:33306
has related synonym: carbon group element
has related synonym: carbon group elements
has related synonym: carbonoides
has OBO namespace: chebi_ontology
has related synonym: cristallogene
has related synonym: cristallogenes
has exact synonym: group 14 elements
has related synonym: group IV elements
in subset: 3 STAR

thiocarboxylic acid
type: Class
subclass of: organosulfur compound
subclass of: organic acid
IAO_0000115: An organic acid in which one or both oxygens of a carboxy group have been replaced by divalent sulfur.
id: CHEBI:33307
has exact synonym: carbothioic acids
has OBO namespace: chebi_ontology
has exact synonym: thiocarboxylic acid
has exact synonym: thiocarboxylic acids
has related synonym: thiocarboxylic acids
in subset: 3 STAR

carboxylic ester
type: Class
subclass of: ester
subclass of: carbonyl compound
charge: 0
monoisotopicmass: 43.990
IAO_0000115: An ester of a carboxylic acid, R(1)C(=O)OR(2), where R(1) = H or organyl and R(2) = organyl.
has alternative id: CHEBI:13204
has alternative id: CHEBI:23028
id: CHEBI:33308
has alternative id: CHEBI:3408
formula: CO2R2
has exact synonym: Carboxylic ester
has db xref: KEGG:C02391
has db xref: Wikipedia:Ester
smiles: [*]C(=O)O[*]
has related synonym: a carboxylic ester
has related synonym: carboxylic acid esters
has exact synonym: carboxylic esters
has OBO namespace: chebi_ontology
in subset: 3 STAR

main group element atom
type: Class
subclass of: atom
IAO_0000115: An atom belonging to one of the main groups (found in the s- and p- blocks) of the periodic table.
id: CHEBI:33318
has related synonym: Hauptgruppenelement
has related synonym: Hauptgruppenelemente
has OBO namespace: chebi_ontology
has related synonym: main group element
has exact synonym: main group elements
in subset: 3 STAR

zinc group element atom
type: Class
subclass of: d-block element atom
id: CHEBI:33340
has OBO namespace: chebi_ontology
has exact synonym: group 12 elements
has related synonym: zinc group element
has related synonym: zinc group elements
in subset: 3 STAR

chromium group element atom
type: Class
subclass of: transition element atom
subclass of: d-block element atom
id: CHEBI:33350
has OBO namespace: chebi_ontology
has related synonym: chromium group element
has related synonym: chromium group elements
has exact synonym: group 6 elements
in subset: 3 STAR

iron group element atom
type: Class
subclass of: transition element atom
subclass of: d-block element atom
id: CHEBI:33356
has OBO namespace: chebi_ontology
has exact synonym: group 8 elements
has related synonym: iron group element
has related synonym: iron group elements
in subset: 3 STAR

cobalt group element atom
type: Class
subclass of: transition element atom
subclass of: d-block element atom
id: CHEBI:33358
has OBO namespace: chebi_ontology
has related synonym: cobalt group element
has related synonym: cobalt group elements
has exact synonym: group 9 elements
in subset: 3 STAR

copper group element atom
type: Class
subclass of: transition element atom
subclass of: d-block element atom
id: CHEBI:33366
has OBO namespace: chebi_ontology
has related synonym: coinage metals
has related synonym: copper group element
has related synonym: copper group elements
has exact synonym: group 11 elements
in subset: 3 STAR

sulfur oxoacid
type: Class
subclass of: sulfur molecular entity
subclass of: chalcogen oxoacid
id: CHEBI:33402
has OBO namespace: chebi_ontology
has related synonym: oxoacids of sulfur
has related synonym: sulfur oxoacids
in subset: 3 STAR

hydracid
type: Class
subclass of: hydrogen molecular entity
IAO_0000115: A hydracid is a compound which contains hydrogen that is not bound to oxygen, and which produces a conjugate base by loss of positive hydrogen ion(s) (hydrons).
id: CHEBI:33405
has OBO namespace: chebi_ontology
has exact synonym: hydracid
has related synonym: hydracids
in subset: 3 STAR

pnictogen oxoacid
type: Class
subclass of: oxoacid
subclass of: pnictogen molecular entity
id: CHEBI:33408
has OBO namespace: chebi_ontology
has related synonym: pnictogen oxoacids
in subset: 3 STAR

sulfur oxoacid derivative
type: Class
subclass of: sulfur molecular entity
subclass of: oxoacid derivative
id: CHEBI:33424
has OBO namespace: chebi_ontology
has exact synonym: sulfur oxoacid derivative
has related synonym: sulfur oxoacid derivatives
in subset: 3 STAR

monoatomic monoanion
type: Class
subclass of: monoatomic anion
subclass of: monoanion
charge: -1
mass: 0.00000
id: CHEBI:33429
smiles: [*-]
has OBO namespace: chebi_ontology
has related synonym: monoatomic monoanions
in subset: 3 STAR

elemental chlorine
type: Class
subclass of: chlorine molecular entity
subclass of: elemental halogen
id: CHEBI:33431
has OBO namespace: chebi_ontology
in subset: 3 STAR

monoatomic chlorine
type: Class
subclass of: elemental chlorine
subclass of: monoatomic halogen
id: CHEBI:33432
formula: Cl
has related synonym: atomic chlorine
has OBO namespace: chebi_ontology
in subset: 3 STAR

monoatomic halogen
type: Class
subclass of: monoatomic entity
id: CHEBI:33433
has OBO namespace: chebi_ontology
has related synonym: monoatomic halogens
in subset: 3 STAR

elemental halogen
type: Class
subclass of: elemental molecular entity
id: CHEBI:33434
has OBO namespace: chebi_ontology
has exact synonym: elemental halogen
has related synonym: elemental halogens
in subset: 3 STAR

phospho sugar
type: Class
subclass of: carbohydrate phosphate
subclass of: monosaccharide derivative
IAO_0000115: Any monosaccharide containing an alcoholic hydroxy group esterified with phosphoric acid.
has alternative id: CHEBI:15132
has alternative id: CHEBI:25406
has alternative id: CHEBI:26086
id: CHEBI:33447
has alternative id: CHEBI:9320
has db xref: KEGG:C00934
has db xref: PMID:18186488
has OBO namespace: chebi_ontology
has related synonym: monosaccharide phosphates
has exact synonym: phospho sugar
has related synonym: phospho sugars
has related synonym: phosphorylated sugar
has related synonym: phosphorylated sugars
has related synonym: phosphosugar
has related synonym: phosphosugars
in subset: 3 STAR

benzylic group
type: Class
subclass of: organyl group
IAO_0000115: Arylmethyl groups and derivatives formed by substitution: ArCR2-.
id: CHEBI:33452
has exact synonym: benzylic group
has exact synonym: benzylic groups
has related synonym: benzylic groups
has OBO namespace: chebi_ontology
has related synonym: groupe benzylique
in subset: 3 STAR

nitrogen oxoacid
type: Class
subclass of: pnictogen oxoacid
subclass of: nitrogen molecular entity
id: CHEBI:33455
has OBO namespace: chebi_ontology
has related synonym: nitrogen oxoacids
has related synonym: oxoacids of nitrogen
in subset: 3 STAR

phosphorus oxoacid
type: Class
subclass of: pnictogen oxoacid
subclass of: phosphorus oxoacids and derivatives
IAO_0000115: A pnictogen oxoacid which contains phosphorus and oxygen, at least one hydrogen atom bound to oxygen, and forms an ion by the loss of one or more protons.
id: CHEBI:33457
has related synonym: Oxosaeure des Phosphors
has OBO namespace: chebi_ontology
has related synonym: oxoacids of phosphorus
has exact synonym: phosphorus oxoacid
has related synonym: phosphorus oxoacids
in subset: 3 STAR

nitrogen oxoanion
type: Class
subclass of: pnictogen oxoanion
subclass of: nitrogen molecular entity
id: CHEBI:33458
has OBO namespace: chebi_ontology
has exact synonym: nitrogen oxoanion
has related synonym: nitrogen oxoanions
has related synonym: oxoanions of nitrogen
in subset: 3 STAR

pnictogen oxoanion
type: Class
subclass of: pnictogen molecular entity
subclass of: oxoanion
id: CHEBI:33459
has OBO namespace: chebi_ontology
has exact synonym: pnictogen oxoanion
has related synonym: pnictogen oxoanions
in subset: 3 STAR

phosphorus oxoanion
type: Class
subclass of: inorganic anion
subclass of: phosphorus molecular entity
subclass of: pnictogen oxoanion
id: CHEBI:33461
has OBO namespace: chebi_ontology
has related synonym: oxoanions of phosphorus
has exact synonym: phosphorus oxoanion
has related synonym: phosphorus oxoanions
in subset: 3 STAR

hydrocarbylidyne group
type: Class
subclass of: organic group
id: CHEBI:33474
has related synonym: RC#
IAO_0000115: Trivalent groups, RC#, formed by removing three hydrogen atoms from the same carbon atom of a hydrocarbon, the free valencies of which are engaged in a triple bond.
has OBO namespace: chebi_ontology
has related synonym: groupe hydrocarbylidyne
has exact synonym: hydrocarbylidyne group
has exact synonym: hydrocarbylidyne groups
has related synonym: hydrocarbylidyne groups
in subset: 3 STAR

sulfur oxoanion
type: Class
subclass of: sulfur molecular entity
subclass of: chalcogen oxoanion
id: CHEBI:33482
has OBO namespace: chebi_ontology
has related synonym: oxoanions of sulfur
has exact synonym: sulfur oxoanion
has related synonym: sulfur oxoanions
in subset: 3 STAR

chalcogen oxoacid
type: Class
subclass of: oxoacid
subclass of: chalcogen molecular entity
id: CHEBI:33484
has exact synonym: chalcogen oxoacid
has related synonym: chalcogen oxoacids
has OBO namespace: chebi_ontology
in subset: 3 STAR

chalcogen oxoanion
type: Class
subclass of: chalcogen molecular entity
subclass of: oxoanion
id: CHEBI:33485
has exact synonym: chalcogen oxoanion
has related synonym: chalcogen oxoanions
has OBO namespace: chebi_ontology
in subset: 3 STAR

transition element molecular entity
type: Class
subclass of: molecular entity
subclass of: Restriction
  on property: has part
  some values from: transition element atom
IAO_0000115: A molecular entity containing one or more atoms of a transition element.
id: CHEBI:33497
has OBO namespace: chebi_ontology
has related synonym: transition element molecular entities
has related synonym: transition metal molecular entity
in subset: 3 STAR

alkali metal cation
type: Class
subclass of: metal cation
id: CHEBI:33504
has related synonym: alkali metal cations
has OBO namespace: chebi_ontology
in subset: 3 STAR

alkaline earth cation
type: Class
subclass of: metal cation
subclass of: alkaline earth molecular entity
id: CHEBI:33513
has related synonym: alkaline earth cations
has related synonym: alkaline earth metal cation
has related synonym: alkaline-earth metal cations
has OBO namespace: chebi_ontology
in subset: 3 STAR

transition element cation
type: Class
subclass of: metal cation
id: CHEBI:33515
has OBO namespace: chebi_ontology
has related synonym: transition element cations
has related synonym: transition metal cation
in subset: 3 STAR

metal atom
type: Class
subclass of: atom
IAO_0000115: An atom of an element that exhibits typical metallic properties, being typically shiny, with high electrical and thermal conductivity.
has alternative id: CHEBI:25217
id: CHEBI:33521
has alternative id: CHEBI:6788
has db xref: KEGG:C00050
has db xref: PMID:21784043
has db xref: Wikipedia:Metal
has OBO namespace: chebi_ontology
has related synonym: elemental metal
has related synonym: elemental metals
has related synonym: metal element
has related synonym: metal elements
has related synonym: metals
in subset: 3 STAR

sulfur hydride
type: Class
subclass of: sulfur molecular entity
subclass of: chalcogen hydride
id: CHEBI:33535
has OBO namespace: chebi_ontology
has related synonym: hydrides of sulfur
has exact synonym: sulfur hydride
has related synonym: sulfur hydrides
has related synonym: sulphur hydrides
in subset: 3 STAR

thiosulfuric acid
type: Class
subclass of: sulfur oxoacid
id: CHEBI:33540
formula: H2O3S2
has OBO namespace: chebi_ontology
has exact synonym: sulfurothioic acid
has exact synonym: thiosulfuric acid
in subset: 3 STAR

thiosulfate(1-)
type: Class
subclass of: sulfur oxoanion
id: CHEBI:33541
formula: HO3S2
has related synonym: HS2O3(-)
has db xref: KEGG:C00320
has OBO namespace: chebi_ontology
has exact synonym: hydrogen sulfurothioate
in subset: 3 STAR

sulfonate
type: Class
subclass of: sulfur oxoanion
charge: -1
monoisotopicmass: 80.965
mass: 81.07214
inchikey: BDHFUVZGWQCTTF-UHFFFAOYSA-M
id: CHEBI:33543
has db xref: Gmelin:971569
formula: HO3S
inchi: InChI=1S/H2O3S/c1-4(2)3/h4H,(H,1,2,3)/p-1
has related synonym: SHO3(-)
IAO_0000115: The sulfur oxoanion formed by deprotonation of sulfonic acid.
smiles: [H]S([O-])(=O)=O
has related synonym: [SHO3](-)
has OBO namespace: chebi_ontology
has exact synonym: hydridotrioxidosulfate(1-)
has related synonym: sulfonates
in subset: 3 STAR

organosulfonic acid
type: Class
subclass of: organosulfur compound
subclass of: sulfonic acid derivative
subclass of: organic acid
subclass of: Restriction
  on property: has part
  some values from: organyl group
subclass of: Restriction
  on property: has part
  some values from: sulfo group
charge: 0
monoisotopicmass: 80.965
mass: 81.07100
IAO_0000115: An organic derivative of sulfonic acid in which the sulfo group is linked directly to carbon.
id: CHEBI:33551
formula: HO3SR
smiles: OS([*])(=O)=O
has OBO namespace: chebi_ontology
has related synonym: organosulfonic acids
has related synonym: sulfonic acids
in subset: 3 STAR

sulfonic acid derivative
type: Class
subclass of: sulfur oxoacid derivative
id: CHEBI:33552
has OBO namespace: chebi_ontology
has related synonym: derivatives of sulfonic acid
has exact synonym: sulfonic acid derivative
has related synonym: sulfonic acid derivatives
in subset: 3 STAR

organosulfonate oxoanion
type: Class
subclass of: organic anion
smiles: *S([O-])(=O)=O
charge: -1
monoisotopicmass: 79.957
mass: 80.064
IAO_0000115: An organic anion obtained by deprotonation of the sufonate group(s) of any organosulfonic acid.
id: CHEBI:33554
formula: O3SR
has OBO namespace: chebi_ontology
has related synonym: organosulfonate
has related synonym: organosulfonate oxoanions
has related synonym: organosulfonates
in subset: 3 STAR

alpha-amino-acid anion
type: Class
subclass of: amino-acid anion
IAO_0000115: An amino-acid anion obtained by deprotonation of any alpha-amino acid.
id: CHEBI:33558
has related synonym: alpha-amino acid anions
has exact synonym: alpha-amino-acid anion
has related synonym: alpha-amino-acid anions
has OBO namespace: chebi_ontology
in subset: 3 STAR

s-block element atom
type: Class
subclass of: atom
id: CHEBI:33559
has OBO namespace: chebi_ontology
has related synonym: s-block element
has related synonym: s-block elements
in subset: 3 STAR

p-block element atom
type: Class
subclass of: main group element atom
IAO_0000115: Any main group element atom belonging to the p-block of the periodic table.
id: CHEBI:33560
has OBO namespace: chebi_ontology
has related synonym: p-block element
has related synonym: p-block elements
in subset: 3 STAR

d-block element atom
type: Class
subclass of: transition element atom
subclass of: metal atom
id: CHEBI:33561
has OBO namespace: chebi_ontology
has related synonym: d-block element
has related synonym: d-block elements
in subset: 3 STAR

glycolipid
type: Class
subclass of: liposaccharide
IAO_0000115: Any member of class of 1,2-di-O-acylglycerols joined at oxygen 3 by a glycosidic linkage to a carbohydrate part (usually a mono-, di- or tri-saccharide). Some substances classified as bacterial glycolipids have the sugar part acylated by one or more fatty acids and the glycerol part may be absent.
has alternative id: CHEBI:24393
id: CHEBI:33563
has alternative id: CHEBI:5476
has exact synonym: Glycolipid
has db xref: KEGG:C05005
has db xref: Wikipedia:Glycolipids
has OBO namespace: chebi_ontology
has exact synonym: glycolipids
in subset: 3 STAR

catechols
type: Class
subclass of: benzenediols
charge: 0
has related synonym: 1,2-benzenediols
monoisotopicmass: 106.005
mass: 106.079
IAO_0000115: Any compound containing an o-diphenol component.
formula: C6H2O2R4
has alternative id: CHEBI:134187
has alternative id: CHEBI:13628
has alternative id: CHEBI:18862
id: CHEBI:33566
has db xref: KEGG:C15571
smiles: OC1=C(O)C(*)=C(*)C(*)=C1*
has related synonym: a catechol
has related synonym: benzene-1,2-diols
has OBO namespace: chebi_ontology
in subset: 3 STAR

catecholamine
type: Class
subclass of: monoamine molecular messenger
subclass of: catechols
subclass of: aralkylamino compound
charge: 0
monoisotopicmass: 151.063
mass: 151.163
IAO_0000115: 4-(2-Aminoethyl)pyrocatechol [4-(2-aminoethyl)benzene-1,2-diol] and derivatives formed by substitution.
formula: C8H9NO2R2
has alternative id: CHEBI:23056
id: CHEBI:33567
has alternative id: CHEBI:3468
has exact synonym: Catecholamine
has db xref: KEGG:C02012
has related synonym: catecholamines
has exact synonym: catecholamines
has OBO namespace: chebi_ontology
in subset: 3 STAR

adrenaline
type: Class
subclass of: catecholamine
has related synonym: (+-)-adrenaline
has related synonym: (+-)-epinephrine
charge: 0
monoisotopicmass: 183.090
mass: 183.20446
has related synonym: 2-(methylamino)-1-(3,4-dihydroxyphenyl)ethanol
has exact synonym: 4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol
IAO_0000115: A catecholamine in which the aminoethyl side-chain is hydroxy-substituted at C-1 and methylated on nitrogen.
has db xref: Beilstein:2212160
formula: C9H13NO3
has db xref: CAS:329-65-7
id: CHEBI:33568
smiles: CNCC(O)c1ccc(O)c(O)c1
has db xref: Drug_Central:4508
has db xref: Gmelin:51559
inchi: InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3
has db xref: LINCS:LSM-4958
has db xref: PMID:10052027
has db xref: PMID:24252294
has db xref: PMID:24719616
has db xref: Reaxys:2212160
inchikey: UCTWMZQNUQWSLP-UHFFFAOYSA-N
has OBO namespace: chebi_ontology
has related synonym: dl-adrenaline
has related synonym: epinephrine racemic
has related synonym: racepinefrina
has related synonym: racepinefrine
has related synonym: racepinefrinum
in subset: 3 STAR

noradrenaline
type: Class
subclass of: catecholamine
charge: 0
monoisotopicmass: 169.074
mass: 169.17788
has exact synonym: 4-(2-amino-1-hydroxyethyl)benzene-1,2-diol
IAO_0000115: A catecholamine in which C-1 of the aminoethyl side-chain is hydroxy-substituted.
has db xref: Beilstein:2210994
formula: C8H11NO3
has db xref: CAS:138-65-8
id: CHEBI:33569
has db xref: Gmelin:863925
inchi: InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2
has db xref: LINCS:LSM-5181
smiles: NCC(O)c1ccc(O)c(O)c1
inchikey: SFLSHLFXELFNJZ-UHFFFAOYSA-N
has OBO namespace: chebi_ontology
has related synonym: noradrenalina
has related synonym: norepinephrine
in subset: 3 STAR

benzenediols
type: Class
subclass of: phenols
has alternative id: CHEBI:22705
has alternative id: CHEBI:22711
id: CHEBI:33570
has OBO namespace: chebi_ontology
in subset: 3 STAR

carboxylic acid
type: Class
subclass of: carbon oxoacid
subclass of: carbonyl compound
subclass of: organic acid
subclass of: Restriction
  on property: has part
  some values from: carboxy group
charge: 0
monoisotopicmass: 44.998
mass: 45.01740
IAO_0000115: A carbon oxoacid acid carrying at least one -C(=O)OH group and having the structure RC(=O)OH, where R is any any monovalent functional group. Carboxylic acids are the most common type of organic acid.
has alternative id: CHEBI:13428
has alternative id: CHEBI:13627
has alternative id: CHEBI:23027
id: CHEBI:33575
formula: CHO2R
has related synonym: Carbonsaeure
has related synonym: Carbonsaeuren
has related synonym: Karbonsaeure
smiles: OC([*])=O
has db xref: PMID:17147560
has db xref: PMID:18433345
has related synonym: RC(=O)OH
has db xref: Wikipedia:Carboxylic_acid
has related synonym: acide carboxylique
has related synonym: acides carboxyliques
has related synonym: acido carboxilico
has related synonym: acidos carboxilicos
has exact synonym: carboxylic acid
has exact synonym: carboxylic acids
has OBO namespace: chebi_ontology
in subset: 3 STAR

sulfur-containing carboxylic acid
type: Class
subclass of: organosulfur compound
subclass of: carboxylic acid
IAO_0000115: Any carboxylic acid having a sulfur substituent.
id: CHEBI:33576
has related synonym: S-containing carboxylic acid
has related synonym: S-containing carboxylic acids
has OBO namespace: chebi_ontology
has related synonym: sulfur-containing carboxylic acids
in subset: 3 STAR

main group molecular entity
type: Class
subclass of: molecular entity
subclass of: Restriction
  on property: has part
  some values from: main group element atom
IAO_0000115: A molecular entity containing one or more atoms from any of groups 1, 2, 13, 14, 15, 16, 17, and 18 of the periodic table.
id: CHEBI:33579
has OBO namespace: chebi_ontology
has related synonym: main group compounds
has related synonym: main group molecular entities
in subset: 3 STAR

carbon group molecular entity
type: Class
subclass of: p-block molecular entity
subclass of: Restriction
  on property: has part
  some values from: carbon group element atom
id: CHEBI:33582
has related synonym: carbon group molecular entities
has exact synonym: carbon group molecular entity
has OBO namespace: chebi_ontology
in subset: 3 STAR

cyclic compound
type: Class
subclass of: molecule
IAO_0000115: Any molecule that consists of a series of atoms joined together to form a ring.
id: CHEBI:33595
has db xref: Wikipedia:Cyclic_compound
has OBO namespace: chebi_ontology
has related synonym: cyclic compounds
in subset: 3 STAR

homocyclic compound
type: Class
subclass of: cyclic compound
IAO_0000115: A cyclic compound having as ring members atoms of the same element only.
id: CHEBI:33597
has OBO namespace: chebi_ontology
has exact synonym: homocyclic compound
has exact synonym: homocyclic compounds
has related synonym: isocyclic compounds
in subset: 3 STAR

carbocyclic compound
type: Class
subclass of: homocyclic compound
subclass of: organic cyclic compound
IAO_0000115: A homocyclic compound in which all of the ring members are carbon atoms.
id: CHEBI:33598
has related synonym: carbocycle
has exact synonym: carbocyclic compound
has exact synonym: carbocyclic compounds
has OBO namespace: chebi_ontology
in subset: 3 STAR

hydrogen molecular entity
type: Class
subclass of: s-block molecular entity
subclass of: Restriction
  on property: has part
  some values from: hydrogen atom
id: CHEBI:33608
has OBO namespace: chebi_ontology
has related synonym: hydrogen compounds
has related synonym: hydrogen molecular entities
in subset: 3 STAR

polycyclic compound
type: Class
subclass of: cyclic compound
id: CHEBI:33635
has OBO namespace: chebi_ontology
has related synonym: polycyclic compounds
in subset: 3 STAR

bicyclic compound
type: Class
subclass of: cyclic compound
IAO_0000115: A molecule that features two fused rings.
id: CHEBI:33636
has related synonym: bicyclic compounds
has OBO namespace: chebi_ontology
in subset: 3 STAR

aliphatic compound
type: Class
subclass of: organic molecular entity
IAO_0000115: Any acyclic or cyclic, saturated or unsaturated carbon compound, excluding aromatic compounds.
id: CHEBI:33653
has exact synonym: aliphatic compounds
has OBO namespace: chebi_ontology
in subset: 3 STAR

aromatic compound
type: Class
subclass of: cyclic compound
IAO_0000115: A cyclically conjugated molecular entity with a stability (due to delocalization) significantly greater than that of a hypothetical localized structure (e.g. Kekule structure) is said to possess aromatic character.
id: CHEBI:33655
has exact synonym: aromatic compounds
has exact synonym: aromatic molecular entity
has related synonym: aromatics
has related synonym: aromatische Verbindungen
has OBO namespace: chebi_ontology
in subset: 3 STAR

arene
type: Class
subclass of: organic aromatic compound
subclass of: cyclic hydrocarbon
IAO_0000115: Any monocyclic or polycyclic aromatic hydrocarbon.
id: CHEBI:33658
has exact synonym: arene
has exact synonym: arenes
has related synonym: aromatic hydrocarbons
has OBO namespace: chebi_ontology
in subset: 3 STAR

organic aromatic compound
type: Class
subclass of: aromatic compound
subclass of: organic cyclic compound
id: CHEBI:33659
has OBO namespace: chebi_ontology
has related synonym: organic aromatic compounds
in subset: 3 STAR

monocyclic compound
type: Class
subclass of: cyclic compound
id: CHEBI:33661
has OBO namespace: chebi_ontology
has related synonym: monocyclic compounds
in subset: 3 STAR

annulene
type: Class
subclass of: monocyclic hydrocarbon
IAO_0000115: A mancude monocyclic hydrocarbon without side chains of the general formula CnHn (n is an even number) or CnHn+1 (n is an odd number). In systematic nomenclature an annulene with seven or more carbon atoms may be named [n]annulene, where n is the number of carbon atoms.
id: CHEBI:33662
has exact synonym: annulene
has exact synonym: annulenes
has OBO namespace: chebi_ontology
in subset: 3 STAR

cyclic hydrocarbon
type: Class
subclass of: hydrocarbon
subclass of: carbocyclic compound
id: CHEBI:33663
has OBO namespace: chebi_ontology
has exact synonym: cyclic hydrocarbon
has related synonym: cyclic hydrocarbons
in subset: 3 STAR

monocyclic hydrocarbon
type: Class
subclass of: cyclic hydrocarbon
id: CHEBI:33664
has OBO namespace: chebi_ontology
has exact synonym: monocyclic hydrocarbon
has related synonym: monocyclic hydrocarbons
has exact synonym: monocyclic hydrocarbons
in subset: 3 STAR

heteromonocyclic compound
type: Class
subclass of: monocyclic compound
subclass of: heterocyclic compound
id: CHEBI:33670
has OBO namespace: chebi_ontology
has exact synonym: heteromonocyclic compound
has exact synonym: heteromonocyclic compounds
in subset: 3 STAR

heteropolycyclic compound
type: Class
subclass of: polycyclic compound
subclass of: heterocyclic compound
IAO_0000115: A polycyclic compound in which at least one of the rings contains at least one non-carbon atom.
id: CHEBI:33671
has OBO namespace: chebi_ontology
has exact synonym: heteropolycyclic compounds
has related synonym: polyheterocyclic compounds
in subset: 3 STAR

heterobicyclic compound
type: Class
subclass of: bicyclic compound
subclass of: heterocyclic compound
IAO_0000115: A bicyclic compound in which at least one of the rings contains at least one skeletal heteroatom.
id: CHEBI:33672
has OBO namespace: chebi_ontology
has exact synonym: heterobicyclic compounds
in subset: 3 STAR

zinc group molecular entity
type: Class
subclass of: d-block molecular entity
subclass of: Restriction
  on property: has part
  some values from: zinc group element atom
id: CHEBI:33673
has OBO namespace: chebi_ontology
has related synonym: zinc group molecular entities
in subset: 3 STAR

s-block molecular entity
type: Class
subclass of: main group molecular entity
subclass of: Restriction
  on property: has part
  some values from: s-block element atom
IAO_0000115: An s-block molecular entity is a molecular entity containing one or more atoms of an s-block element.
id: CHEBI:33674
has OBO namespace: chebi_ontology
has related synonym: s-block compounds
has related synonym: s-block molecular entities
has exact synonym: s-block molecular entity
in subset: 3 STAR

p-block molecular entity
type: Class
subclass of: main group molecular entity
subclass of: Restriction
  on property: has part
  some values from: p-block element atom
IAO_0000115: A main group molecular entity that contains one or more atoms of a p-block element.
id: CHEBI:33675
has OBO namespace: chebi_ontology
has related synonym: p-block compounds
has related synonym: p-block molecular entities
has related synonym: p-block molecular entitiy
in subset: 3 STAR

d-block molecular entity
type: Class
subclass of: transition element molecular entity
subclass of: Restriction
  on property: has part
  some values from: d-block element atom
IAO_0000115: A d-block molecular entity is a molecular entity containing one or more atoms of a d-block element.
id: CHEBI:33676
has OBO namespace: chebi_ontology
has related synonym: d-block compounds
has related synonym: d-block molecular entities
has exact synonym: d-block molecular entity
in subset: 3 STAR

hydrides
type: Class
subclass of: hydrogen molecular entity
subclass of: heteroatomic molecular entity
id: CHEBI:33692
IAO_0000115: Hydrides are chemical compounds of hydrogen with other chemical elements.
has OBO namespace: chebi_ontology
in subset: 3 STAR

oxygen hydride
type: Class
subclass of: chalcogen hydride
id: CHEBI:33693
has OBO namespace: chebi_ontology
has related synonym: hydrides of oxygen
has exact synonym: oxygen hydride
has related synonym: oxygen hydrides
in subset: 3 STAR

biomacromolecule
type: Class
subclass of: macromolecule
subclass of: organic molecular entity
IAO_0000115: A macromolecule formed by a living organism.
has related synonym: Biopolymere
id: CHEBI:33694
has related synonym: biomacromolecules
has exact synonym: biopolymer
has related synonym: biopolymers
has OBO namespace: chebi_ontology
in subset: 3 STAR

information biomacromolecule
type: Class
subclass of: biomacromolecule
id: CHEBI:33695
has OBO namespace: chebi_ontology
has related synonym: genetically encoded biomacromolecules
has related synonym: genetically encoded biopolymers
has related synonym: information biomacromolecules
has related synonym: information biopolymers
has related synonym: information macromolecule
has related synonym: information macromolecules
in subset: 3 STAR

nucleic acid
type: Class
subclass of: polynucleotide
subclass of: Restriction
  on property: has part
  some values from: canonical nucleoside residue
subclass of: Restriction
  on property: has part
  some values from: canonical nucleotide residue
IAO_0000115: A macromolecule made up of nucleotide units and hydrolysable into certain pyrimidine or purine bases (usually adenine, cytosine, guanine, thymine, uracil), D-ribose or 2-deoxy-D-ribose and phosphoric acid.
id: CHEBI:33696
has related synonym: NA
has related synonym: Nukleinsaeure
has related synonym: Nukleinsaeuren
has related synonym: acide nucleique
has related synonym: acides nucleiques
has related synonym: acido nucleico
has related synonym: acidos nucleicos
has OBO namespace: chebi_ontology
has exact synonym: nucleic acids
in subset: 3 STAR

ribonucleic acid
type: Class
subclass of: nucleic acid
subclass of: Restriction
  on property: has part
  some values from: canonical ribonucleotide residue
subclass of: Restriction
  on property: has part
  some values from: canonical ribonucleoside residue
has db xref: CAS:63231-63-0
id: CHEBI:33697
IAO_0000115: High molecular weight, linear polymers, composed of nucleotides containing ribose and linked by phosphodiester bonds; RNA is central to the synthesis of proteins.
has related synonym: RNA
has related synonym: RNS
has related synonym: Ribonukleinsaeure
has OBO namespace: chebi_ontology
has related synonym: pentosenucleic acids
has exact synonym: ribonucleic acid
has related synonym: ribonucleic acids
has exact synonym: ribonucleic acids
has related synonym: ribose nucleic acid
has related synonym: yeast nucleic acid
in subset: 3 STAR

proteinogenic amino-acid residue
type: Class
subclass of: alpha-amino-acid residue
id: CHEBI:33700
has related synonym: canonical amino-acid residue
has related synonym: canonical amino-acid residues
has OBO namespace: chebi_ontology
has related synonym: common amino acid residues
has related synonym: proteinogenic amino-acid residues
has related synonym: standard amino acid residues
has related synonym: standard amino-acid residues
in subset: 3 STAR

polyatomic cation
type: Class
subclass of: polyatomic ion
subclass of: cation
IAO_0000115: A cation consisting of more than one atom.
id: CHEBI:33702
has OBO namespace: chebi_ontology
has related synonym: polyatomic cations
in subset: 3 STAR

amino-acid cation
type: Class
subclass of: polyatomic cation
id: CHEBI:33703
has related synonym: amino acid cation
has exact synonym: amino-acid cation
has related synonym: amino-acid cations
has OBO namespace: chebi_ontology
in subset: 3 STAR

alpha-amino acid
type: Class
subclass of: amino acid
charge: 0
monoisotopicmass: 74.024
mass: 74.05870
has related synonym: Amino acid
has related synonym: Amino acids
IAO_0000115: An amino acid in which the amino group is located on the carbon atom at the position alpha to the carboxy group.
formula: C2H4NO2R
has alternative id: CHEBI:10208
has alternative id: CHEBI:13779
has alternative id: CHEBI:22442
has alternative id: CHEBI:2642
id: CHEBI:33704
has db xref: KEGG:C00045
has db xref: KEGG:C05167
smiles: NC([*])C(O)=O
has exact synonym: alpha-amino acid
has related synonym: alpha-amino acids
has related synonym: alpha-amino carboxylic acids
has OBO namespace: chebi_ontology
in subset: 3 STAR

beta-amino acid
type: Class
subclass of: non-proteinogenic amino acid
IAO_0000115: A non-proteinogenic amino acid in which the amino group is located on the carbon atom at the position beta to the carboxy group.
id: CHEBI:33706
has exact synonym: beta-amino acid
has related synonym: beta-amino acids
has OBO namespace: chebi_ontology
in subset: 3 STAR

gamma-amino acid
type: Class
subclass of: non-proteinogenic amino acid
IAO_0000115: A non-proteinogenic amino-acid in which the amino group is located on the carbon atom at the position gamma to the carboxy group.
id: CHEBI:33707
has OBO namespace: chebi_ontology
has exact synonym: gamma-amino acid
has related synonym: gamma-amino acids
in subset: 3 STAR

amino-acid residue
type: Class
subclass of: organic group
id: CHEBI:33708
IAO_0000115: When two or more amino acids combine to form a peptide, the elements of water are removed, and what remains of each amino acid is called an amino-acid residue.
has related synonym: amino acid residue
has exact synonym: amino-acid residue
has related synonym: amino-acid residues
has OBO namespace: chebi_ontology
in subset: 3 STAR

amino acid
type: Class
subclass of: carboxylic acid
subclass of: organic amino compound
IAO_0000115: A carboxylic acid containing one or more amino groups.
has related synonym: Aminocarbonsaeure
has related synonym: Aminokarbonsaeure
has related synonym: Aminosaeure
has alternative id: CHEBI:13815
has alternative id: CHEBI:22477
id: CHEBI:33709
has db xref: Wikipedia:Amino_acid
has related synonym: amino acids
has OBO namespace: chebi_ontology
in subset: 3 STAR

alpha-amino-acid residue
type: Class
subclass of: amino-acid residue
id: CHEBI:33710
has related synonym: alpha-amino-acid residues
has OBO namespace: chebi_ontology
in subset: 3 STAR

alpha-amino-acid cation
type: Class
subclass of: amino-acid cation
id: CHEBI:33719
has related synonym: alpha-amino acid cations
has exact synonym: alpha-amino-acid cation
has related synonym: alpha-amino-acid cations
has OBO namespace: chebi_ontology
in subset: 3 STAR

carbohydrate acid
type: Class
subclass of: carbohydrate
subclass of: carboxylic acid
id: CHEBI:33720
has exact synonym: carbohydrate acid
has related synonym: carbohydrate acids
has OBO namespace: chebi_ontology
in subset: 3 STAR

carbohydrate acid anion
type: Class
subclass of: carboxylic acid anion
id: CHEBI:33721
has exact synonym: carbohydrate acid anion
has related synonym: carbohydrate acid anions
has OBO namespace: chebi_ontology
in subset: 3 STAR

tetritol
type: Class
subclass of: alditol
id: CHEBI:33729
has OBO namespace: chebi_ontology
has exact synonym: tetritol
has related synonym: tetritols
in subset: 3 STAR

chromium group molecular entity
type: Class
subclass of: transition element molecular entity
subclass of: d-block molecular entity
subclass of: Restriction
  on property: has part
  some values from: chromium group element atom
id: CHEBI:33741
has OBO namespace: chebi_ontology
has related synonym: chromium group molecular entities
has exact synonym: chromium group molecular entity
in subset: 3 STAR

iron group molecular entity
type: Class
subclass of: transition element molecular entity
subclass of: d-block molecular entity
subclass of: Restriction
  on property: has part
  some values from: iron group element atom
id: CHEBI:33744
has OBO namespace: chebi_ontology
has related synonym: iron group molecular entities
has exact synonym: iron group molecular entity
in subset: 3 STAR

copper group molecular entity
type: Class
subclass of: transition element molecular entity
subclass of: d-block molecular entity
subclass of: Restriction
  on property: has part
  some values from: copper group element atom
id: CHEBI:33745
has OBO namespace: chebi_ontology
has related synonym: copper group molecular entities
has exact synonym: copper group molecular entity
in subset: 3 STAR

hexonic acid
type: Class
subclass of: aldonic acid
IAO_0000115: Any aldonic acid formed by oxidising the aldehyde group of an aldohexose to a carboxylic acid group.
id: CHEBI:33752
has related synonym: aldohexonic acids
has OBO namespace: chebi_ontology
has exact synonym: hexonic acid
has related synonym: hexonic acids
in subset: 3 STAR

hexonate
type: Class
subclass of: aldonate
id: CHEBI:33760
has related synonym: aldohexonates
has OBO namespace: chebi_ontology
has exact synonym: hexonate
has related synonym: hexonates
in subset: 3 STAR

cobalt group molecular entity
type: Class
subclass of: transition element molecular entity
subclass of: d-block molecular entity
subclass of: Restriction
  on property: has part
  some values from: cobalt group element atom
id: CHEBI:33767
has OBO namespace: chebi_ontology
has related synonym: cobalt group molecular entities
has exact synonym: cobalt group molecular entity
in subset: 3 STAR

galactonates
type: Class
subclass of: hexonate
id: CHEBI:33778
has OBO namespace: chebi_ontology
in subset: 3 STAR

canonical nucleoside residue
type: Class
subclass of: nucleoside residue
id: CHEBI:33791
has related synonym: canonical nucleoside residues
has OBO namespace: chebi_ontology
has related synonym: common nucleoside residues
has related synonym: nucleoside residue
has related synonym: standard nucleoside residues
in subset: 3 STAR

canonical ribonucleoside residue
type: Class
subclass of: canonical nucleoside residue
id: CHEBI:33792
has related synonym: N
has related synonym: Nuc
has related synonym: canonical ribonucleoside residues
has OBO namespace: chebi_ontology
has related synonym: common ribonucleoside residue
has related synonym: common ribonucleoside residues
has related synonym: standard ribonucleoside residues
in subset: 3 STAR

organic hydroxy compound
type: Class
subclass of: hydroxides
subclass of: organic molecular entity
IAO_0000115: An organic compound having at least one hydroxy group attached to a carbon atom.
id: CHEBI:33822
has alternative id: CHEBI:64710
has OBO namespace: chebi_ontology
has exact synonym: hydroxy compounds
has related synonym: organic alcohol
has related synonym: organic hydroxy compounds
in subset: 3 STAR

organic cyclic compound
type: Class
subclass of: cyclic compound
subclass of: organic molecule
IAO_0000115: Any organic molecule that consists of atoms connected in the form of a ring.
id: CHEBI:33832
has OBO namespace: chebi_ontology
has related synonym: organic cyclic compounds
in subset: 3 STAR

heteroarene
type: Class
subclass of: organic heterocyclic compound
subclass of: organic aromatic compound
IAO_0000115: A heterocyclic compound formally derived from an arene by replacement of one or more methine (-C=) and/or vinylene (-CH=CH-) groups by trivalent or divalent heteroatoms, respectively, in such a way as to maintain the continuous pi-electron system characteristic of aromatic systems and a number of out-of-plane pi-electrons corresponding to the Hueckel rule (4n+2).
id: CHEBI:33833
has OBO namespace: chebi_ontology
has related synonym: hetarenes
has exact synonym: heteroarenes
in subset: 3 STAR

benzenoid aromatic compound
type: Class
subclass of: carbocyclic compound
subclass of: organic aromatic compound
id: CHEBI:33836
has related synonym: benzenoid aromatic compounds
has related synonym: benzenoid compound
has OBO namespace: chebi_ontology
in subset: 3 STAR

conjugated protein
type: Class
subclass of: protein
id: CHEBI:33837
has db xref: COMe:PRX000001
IAO_0000115: Conjugated protein is a protein that contains a non-peptide component, usually in stoichiometric proportion.
has OBO namespace: chebi_ontology
has related synonym: complex protein
has exact synonym: conjugated proteins
in subset: 3 STAR

nucleoside
type: Class
subclass of: N-glycosyl compound
subclass of: oxolanes
subclass of: nucleobase-containing molecular entity
charge: 0
monoisotopicmass: 116.047
mass: 116.115
IAO_0000115: An N-glycosyl compound that has both a nucleobase, normally adenine, guanine, xanthine, thymine, cytosine or uracil, and either a ribose or deoxyribose as functional parents.
formula: C5H8O3R2
has alternative id: CHEBI:13661
has alternative id: CHEBI:25611
id: CHEBI:33838
has alternative id: CHEBI:7647
has db xref: KEGG:C00801
has exact synonym: Nucleoside
smiles: [C@H]1([C@H]([C@@H](*)[C@@H](O1)*)O)CO
has related synonym: a nucleoside
has OBO namespace: chebi_ontology
has related synonym: nucleosides
has exact synonym: nucleosides
in subset: 3 STAR

macromolecule
type: Class
subclass of: polyatomic entity
IAO_0000115: A macromolecule is a molecule of high relative molecular mass, the structure of which essentially comprises the multiple repetition of units derived, actually or conceptually, from molecules of low relative molecular mass.
id: CHEBI:33839
has db xref: Wikipedia:Macromolecule
has OBO namespace: chebi_ontology
has exact synonym: macromolecule
has related synonym: macromolecules
has related synonym: polymer
has related synonym: polymer molecule
has related synonym: polymers
in subset: 3 STAR

aromatic annulene
type: Class
subclass of: annulene
subclass of: monocyclic arene
id: CHEBI:33842
has related synonym: aromatic annulenes
has OBO namespace: chebi_ontology
in subset: 3 STAR

monocyclic arene
type: Class
subclass of: arene
IAO_0000115: A monocyclic aromatic hydrocarbon.
id: CHEBI:33847
has OBO namespace: chebi_ontology
has related synonym: monocyclic arenes
in subset: 3 STAR

phenols
type: Class
subclass of: organic aromatic compound
subclass of: organic hydroxy compound
charge: 0
monoisotopicmass: 89.003
mass: 89.072
has related synonym: Aryl alcohol
smiles: C1(=C(C(=C(C(=C1*)*)*)*)*)O
formula: C6HOR5
has alternative id: CHEBI:13664
has alternative id: CHEBI:13825
has alternative id: CHEBI:25969
has alternative id: CHEBI:2857
id: CHEBI:33853
has db xref: KEGG:C15584
has db xref: MetaCyc:Phenols
IAO_0000115: Organic aromatic compounds having one or more hydroxy groups attached to a benzene or other arene ring.
has db xref: Wikipedia:Phenols
has related synonym: a phenol
has related synonym: arenols
has OBO namespace: chebi_ontology
has exact synonym: phenols
in subset: 3 STAR

arenecarbaldehyde
type: Class
subclass of: aldehyde
subclass of: organic aromatic compound
smiles: *C(=O)[H]
charge: 0
monoisotopicmass: 29.003
mass: 29.018
IAO_0000115: Any aldehyde in which the carbonyl group is attached to an aromatic moiety.
has related synonym: Aromatic aldehyde
has alternative id: CHEBI:13819
has alternative id: CHEBI:22621
has alternative id: CHEBI:2832
id: CHEBI:33855
has alternative id: CHEBI:87908
formula: CHOR
has db xref: KEGG:C00193
has db xref: MetaCyc:Aryl-Aldehyde
has related synonym: an aromatic aldehyde
has exact synonym: arenecarbaldehyde
has related synonym: arenecarbaldehydes
has related synonym: aryl aldehyde
has related synonym: aryl aldehydes
has OBO namespace: chebi_ontology
in subset: 3 STAR

aromatic amino acid
type: Class
subclass of: organic aromatic compound
subclass of: amino acid
charge: 0
monoisotopicmass: 74.024
mass: 88.085
IAO_0000115: An amino acid whose structure includes an aromatic ring.
has exact synonym: Aromatic amino acid
formula: C2H4NO2R
has alternative id: CHEBI:13820
has alternative id: CHEBI:22623
has alternative id: CHEBI:2835
id: CHEBI:33856
has db xref: KEGG:C01021
has db xref: Wikipedia:Aromatic_amino_acid
has exact synonym: aromatic amino acid
has related synonym: aromatic amino acids
has OBO namespace: chebi_ontology
in subset: 3 STAR

aromatic carboxylic acid
type: Class
subclass of: carboxylic acid
subclass of: organic aromatic compound
IAO_0000115: Any carboxylic acid in which the carboxy group is directly bonded to an aromatic ring.
has alternative id: CHEBI:13817
has alternative id: CHEBI:13821
has alternative id: CHEBI:2830
id: CHEBI:33859
has related synonym: aromatic carboxylic acids
has OBO namespace: chebi_ontology
in subset: 3 STAR

aromatic amine
type: Class
subclass of: organic aromatic compound
subclass of: organic amino compound
IAO_0000115: An amino compound in which the amino group is linked directly to an aromatic system.
has alternative id: CHEBI:13827
has alternative id: CHEBI:22622
has alternative id: CHEBI:22646
has alternative id: CHEBI:2834
has alternative id: CHEBI:2863
id: CHEBI:33860
has related synonym: aromatic amines
has related synonym: aryl amine
has related synonym: aryl amines
has related synonym: arylamine
has related synonym: arylamines
has OBO namespace: chebi_ontology
in subset: 3 STAR

transition element coordination entity
type: Class
subclass of: coordination entity
subclass of: transition element molecular entity
id: CHEBI:33861
has OBO namespace: chebi_ontology
has related synonym: transition element coordination entities
has related synonym: transition metal coordination compounds
has related synonym: transition metal coordination entities
in subset: 3 STAR

cobalt molecular entity
type: Class
subclass of: cobalt group molecular entity
subclass of: Restriction
  on property: has part
  some values from: cobalt atom
id: CHEBI:33888
has OBO namespace: chebi_ontology
has related synonym: cobalt compounds
has related synonym: cobalt molecular entities
has exact synonym: cobalt molecular entity
in subset: 3 STAR

cobalt coordination entity
type: Class
subclass of: transition element coordination entity
subclass of: cobalt molecular entity
id: CHEBI:33890
has OBO namespace: chebi_ontology
has related synonym: cobalt coordination compounds
has related synonym: cobalt coordination entities
has exact synonym: cobalt coordination entity
in subset: 3 STAR

iron coordination entity
type: Class
subclass of: iron molecular entity
subclass of: transition element coordination entity
id: CHEBI:33892
has OBO namespace: chebi_ontology
has related synonym: iron coordination compounds
has related synonym: iron coordination entities
has exact synonym: iron coordination entity
in subset: 3 STAR

reagent
type: Class
subclass of: application
IAO_0000115: A substance used in a chemical reaction to detect, measure, examine, or produce other substances.
id: CHEBI:33893
has OBO namespace: chebi_ontology
has related synonym: reactif
has related synonym: reactivo
has exact synonym: reagent
has related synonym: reagents
in subset: 3 STAR

cobalt corrinoid
type: Class
subclass of: cobalt coordination entity
subclass of: metallotetrapyrrole
subclass of: corrinoid
id: CHEBI:33906
has OBO namespace: chebi_ontology
has related synonym: cobalt corrinoids
has related synonym: cobalt-corrinoids
in subset: 3 STAR

metallotetrapyrrole
type: Class
subclass of: cyclic tetrapyrrole
id: CHEBI:33909
has OBO namespace: chebi_ontology
has related synonym: metal-tetrapyrrole
has related synonym: metal-tetrapyrrole complex
has related synonym: metallotetrapyrroles
in subset: 3 STAR

corrinoid
type: Class
subclass of: cyclic tetrapyrrole
monoisotopicmass: 285.020
IAO_0000115: A derivative of the corrin nucleus, which contains four reduced or partly reduced pyrrole rings joined in a macrocycle by three =C- groups and one direct carbon-carbon bond linking alpha positions.
formula: C19HN4R21
has alternative id: CHEBI:23391
id: CHEBI:33913
has alternative id: CHEBI:3890
has exact synonym: Corrinoid
has related synonym: Corrinoid protein
has related synonym: Corrinoid protein Co+
has db xref: KEGG:C06021
has related synonym: Korrinoid
has OBO namespace: chebi_ontology
has exact synonym: corrinoid
has related synonym: corrinoide
has related synonym: corrinoides
has exact synonym: corrinoids
in subset: 3 STAR

aldopentose
type: Class
subclass of: aldose
subclass of: pentose
IAO_0000115: A pentose with a (potential) aldehyde group at one end.
id: CHEBI:33916
has db xref: PMID:10723607
has exact synonym: aldopentose
has related synonym: aldopentoses
has OBO namespace: chebi_ontology
in subset: 3 STAR

aldohexose
type: Class
subclass of: aldose
subclass of: hexose
IAO_0000115: A hexose with a (potential) aldehyde group at one end.
has alternative id: CHEBI:2558
id: CHEBI:33917
has exact synonym: aldohexose
has related synonym: aldohexoses
has OBO namespace: chebi_ontology
in subset: 3 STAR

macronutrient
type: Class
subclass of: nutrient
id: CHEBI:33937
has OBO namespace: chebi_ontology
in subset: 1 STAR

ribose
type: Class
subclass of: aldopentose
IAO_0000115: Any aldopentose where the open-chain form has all the hydroxy groups on the same side in the Fischer projection. Occurrs in two enantiomeric forms, D- and L-ribose, of which only the former is found in nature.
formula: C5H10O5
has alternative id: CHEBI:26564
id: CHEBI:33942
has related synonym: Rib
has OBO namespace: chebi_ontology
has exact synonym: ribo-pentose
has exact synonym: ribose
in subset: 3 STAR

halide salt
type: Class
subclass of: salt
subclass of: halide
subclass of: Restriction
  on property: has part
  some values from: halide anion
id: CHEBI:33958
has OBO namespace: chebi_ontology
has related synonym: halide salts
has related synonym: halides
in subset: 3 STAR

fucose
type: Class
subclass of: hexose
subclass of: deoxygalactose
has related synonym: 6-Deoxygalactose
has exact synonym: 6-deoxygalactose
IAO_0000115: Any deoxygalactose that is deoxygenated at the 6-position.
has db xref: CAS:7724-73-4
has alternative id: CHEBI:24118
id: CHEBI:33984
has alternative id: CHEBI:5182
has related synonym: Fuc
has exact synonym: Fucose
has db xref: KEGG:C00382
has db xref: PMID:12651883
has OBO namespace: chebi_ontology
has exact synonym: fucose
in subset: 3 STAR

carnitinium
type: Class
subclass of: quaternary ammonium ion
charge: +1
monoisotopicmass: 162.113
mass: 162.20688
has exact synonym: 3-carboxy-2-hydroxy-N,N,N-trimethylpropan-1-aminium
has related synonym: 3-hydroxy-4-(trimethylammonio)butanoic acid
IAO_0000115: A quaternary ammonium ion that is the the conjugate acid of carnitine.
formula: C7H16NO3
has db xref: CAS:406-76-8
has db xref: CAS:461-06-3
id: CHEBI:3424
smiles: C[N+](C)(C)CC(O)CC(O)=O
has related synonym: Carnitine
inchi: InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3/p+1
has db xref: KEGG:C00487
inchikey: PHIQHXFUZVPYII-UHFFFAOYSA-O
has OBO namespace: chebi_ontology
in subset: 3 STAR

paraquat
type: Class
subclass of: organic cation
charge: +2
has related synonym: 1,1'-Dimethyl-4,4'-bipyridinium
has related synonym: 1,1'-dimethyl-4,4'-bipyridyldiylium
has exact synonym: 1,1'-dimethyl-[4,4'-bipyridin]-1,1'-diium
monoisotopicmass: 186.116
mass: 186.25304
IAO_0000115: An organic cation that consists of 4,4'-bipyridine bearing two N-methyl substituents loctated at the 1- and 1'-positions.
has db xref: Beilstein:3590305
formula: C12H14N2
has db xref: CAS:4685-14-7
id: CHEBI:34905
smiles: C[n+]1ccc(cc1)-c1cc[n+](C)cc1
has db xref: Gmelin:51125
inchikey: INFDPOAKFNIJBF-UHFFFAOYSA-N
inchi: InChI=1S/C12H14N2/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12/h3-10H,1-2H3/q+2
has db xref: KEGG:C14701
has related synonym: N,N'-dimethyl-4,4'-bipyridinium
has related synonym: N,N'-dimethyl-4,4'-bipyridinium dication
has db xref: PMID:11349957
has db xref: PMID:18620719
has db xref: PMID:20377249
has db xref: PMID:20582739
has db xref: PMID:21236547
has db xref: PMID:21300143
has db xref: PMID:21318114
has db xref: PMID:21429624
has db xref: PMID:21493003
has db xref: PMID:21598522
has db xref: PMID:21616728
has db xref: PMID:21619794
has db xref: PMID:21619822
has db xref: PMID:21750730
has db xref: PMID:21777615
has db xref: PMID:21787677
has db xref: PMID:21802509
has db xref: PPDB:505
has exact synonym: Paraquat
has db xref: Reaxys:3590305
has OBO namespace: chebi_ontology
has related synonym: dimethyl viologen
has related synonym: methyl viologen ion(2+)
has related synonym: paraquat dication
has related synonym: paraquat ion
in subset: 3 STAR

serotonin(1+)
type: Class
subclass of: ammonium ion
charge: +1
monoisotopicmass: 177.103
mass: 177.22250
has exact synonym: 2-(5-hydroxy-1H-indol-3-yl)ethanaminium
IAO_0000115: An ammonium ion that is the conjugate acid of serotonin; major species at pH 7.3.
formula: C10H13N2O
id: CHEBI:350546
inchi: InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2/p+1
inchikey: QZAYGJVTTNCVMB-UHFFFAOYSA-O
smiles: [NH3+]CCc1c[nH]c2ccc(O)cc12
has OBO namespace: chebi_ontology
has related synonym: serotonin
has related synonym: serotonin cation
in subset: 3 STAR

nitrogen hydride
type: Class
subclass of: pnictogen hydride
subclass of: nitrogen molecular entity
id: CHEBI:35106
has OBO namespace: chebi_ontology
has related synonym: nitrogen hydrides
in subset: 3 STAR

azane
type: Class
subclass of: nitrogen hydride
id: CHEBI:35107
IAO_0000115: Saturated acyclic nitrogen hydrides having the general formula NnHn+2.
has related synonym: azanes
has OBO namespace: chebi_ontology
in subset: 3 STAR

aldose phosphate
type: Class
subclass of: phospho sugar
id: CHEBI:35131
has related synonym: aldose phosphates
has OBO namespace: chebi_ontology
in subset: 3 STAR

metalloprotein
type: Class
subclass of: conjugated protein
id: CHEBI:35134
has db xref: COMe:PRX000002
has OBO namespace: chebi_ontology
has exact synonym: metalloprotein
has related synonym: metalloproteine
has related synonym: metalloproteins
in subset: 3 STAR

iron protein
type: Class
subclass of: metalloprotein
id: CHEBI:35136
has db xref: COMe:PRX000004
has OBO namespace: chebi_ontology
has exact synonym: iron protein
has related synonym: iron proteins
has related synonym: iron-containing proteins
in subset: 3 STAR

hemoprotein
type: Class
subclass of: iron protein
subclass of: Restriction
  on property: has part
  some values from: heme
id: CHEBI:35137
has db xref: COMe:PRX000008
IAO_0000115: Conjugated proteins containing heme as the prosthetic group.
has related synonym: Haemoprotein
has related synonym: Haemprotein
has OBO namespace: chebi_ontology
has related synonym: haem protein
has related synonym: haemoprotein
has related synonym: heme protein
has related synonym: hemeproteins
has exact synonym: hemoprotein
has related synonym: hemoproteins
in subset: 3 STAR

hemoglobin
type: Class
subclass of: globin
id: CHEBI:35143
has db xref: COMe:PRX000321
has OBO namespace: chebi_ontology
has related synonym: haemoglobin
has exact synonym: hemoglobin
has related synonym: vertebrate haemoglobin
in subset: 3 STAR

(6'R)-beta,epsilon-carotene
type: Class
subclass of: alpha-carotene
has related synonym: (+)-alpha-carotene
has exact synonym: (6'R)-beta,epsilon-carotene
charge: 0
monoisotopicmass: 536.438
mass: 536.87264
inchikey: ANVAOWXLWRTKGA-NTXLUARGSA-N
has db xref: Beilstein:2067409
formula: C40H56
has db xref: CAS:7488-99-5
id: CHEBI:35147
has db xref: LIPID_MAPS_instance:LMPR01070011
has related synonym: alpha-carotene (natural)
has OBO namespace: chebi_ontology
in subset: 3 STAR

(6'S)-beta,epsilon-carotene
type: Class
subclass of: alpha-carotene
has exact synonym: (6'S)-beta,epsilon-carotene
charge: 0
monoisotopicmass: 536.438
mass: 536.87264
inchikey: ANVAOWXLWRTKGA-QTRZAOAUSA-N
has db xref: Beilstein:2682045
formula: C40H56
id: CHEBI:35148
has OBO namespace: chebi_ontology
in subset: 3 STAR

elemental calcium
type: Class
subclass of: calcium molecular entity
id: CHEBI:35155
has OBO namespace: chebi_ontology
in subset: 3 STAR

calcium salt
type: Class
subclass of: calcium molecular entity
subclass of: alkaline earth salt
subclass of: Restriction
  on property: has part
  some values from: calcium(2+)
id: CHEBI:35156
has related synonym: Kalziumsalz
has related synonym: Kalziumsalze
has related synonym: calcium salts
has OBO namespace: chebi_ontology
in subset: 3 STAR

cyclic carotene
type: Class
subclass of: carotene
id: CHEBI:35163
has OBO namespace: chebi_ontology
has exact synonym: cyclic carotene
has related synonym: cyclic carotenes
in subset: 3 STAR

2-oxo monocarboxylic acid anion
type: Class
subclass of: oxo monocarboxylic acid anion
charge: -1
has related synonym: 2-oxo monocarboxylate
has related synonym: 2-oxo monocarboxylic acid anions
monoisotopicmass: 71.985
IAO_0000115: An oxo monocarboxylic acid anion in which the oxo group is located at the 2-position.
formula: C2O3R
id: CHEBI:35179
has alternative id: CHEBI:70795
has db xref: MetaCyc:2-Oxo-carboxylates
has db xref: PMID:10850983
smiles: [O-]C(=O)C([*])=O
has related synonym: a 2-oxocarboxylate
has OBO namespace: chebi_ontology
in subset: 3 STAR

terpene
type: Class
subclass of: hydrocarbon
subclass of: isoprenoid
IAO_0000115: A hydrocarbon of biological origin having carbon skeleton formally derived from isoprene [CH2=C(CH3)CH=CH2].
id: CHEBI:35186
has related synonym: Terpen
has OBO namespace: chebi_ontology
has exact synonym: terpene
has exact synonym: terpenes
has related synonym: terpenes
has related synonym: terpeno
has related synonym: terpenos
in subset: 3 STAR

diterpene
type: Class
subclass of: terpene
IAO_0000115: A C20 terpene.
id: CHEBI:35190
has related synonym: Diterpen
has OBO namespace: chebi_ontology
has related synonym: diterpenes
has exact synonym: diterpenes
has related synonym: diterpeno
has related synonym: diterpenos
in subset: 3 STAR

triterpene
type: Class
subclass of: terpene
IAO_0000115: A C30 terpene.
id: CHEBI:35191
has related synonym: Triterpen
has OBO namespace: chebi_ontology
has exact synonym: triterpenes
has related synonym: triterpenes
has related synonym: triterpeno
has related synonym: triterpenos
in subset: 3 STAR

tetraterpene
type: Class
subclass of: terpene
IAO_0000115: A C40 terpene.
id: CHEBI:35193
has OBO namespace: chebi_ontology
has exact synonym: tetraterpenes
has related synonym: tetraterpenes
has related synonym: tetraterpeno
has related synonym: tetraterpenos
in subset: 3 STAR

surfactant
type: Class
subclass of: emulsifier
IAO_0000115: A substance which lowers the surface tension of the medium in which it is dissolved, and/or the interfacial tension with other phases, and, accordingly, is positively adsorbed at the liquid/vapour and/or at other interfaces.
id: CHEBI:35195
has OBO namespace: chebi_ontology
has related synonym: surface active agent
has exact synonym: surfactant
has related synonym: surfactants
in subset: 3 STAR

molybdenum coordination entity
type: Class
subclass of: molybdenum molecular entity
subclass of: transition element coordination entity
id: CHEBI:35202
has OBO namespace: chebi_ontology
has related synonym: molybdenum coordination compounds
has related synonym: molybdenum coordination entities
in subset: 3 STAR

molybdopterins
type: Class
subclass of: organic phosphate
subclass of: phosphoric ester
subclass of: pyranopterin
id: CHEBI:35203
has db xref: Wikipedia:Molybdopterin
has OBO namespace: chebi_ontology
in subset: 3 STAR

plant growth retardant
type: Class
subclass of: plant growth regulator
has alternative id: CHEBI:26154
has alternative id: CHEBI:26156
id: CHEBI:35219
has OBO namespace: chebi_ontology
has related synonym: plant growth inhibitor
has related synonym: plant growth inhibitors
has related synonym: plant growth retardants
in subset: 3 STAR

antimetabolite
type: Class
subclass of: biochemical role
IAO_0000115: A substance which is structurally similar to a metabolite but which competes with it or replaces it, and so prevents or reduces its normal utilization.
id: CHEBI:35221
has db xref: Wikipedia:Antimetabolite
has exact synonym: antimetabolite
has related synonym: antimetabolites
has OBO namespace: chebi_ontology
in subset: 3 STAR

inhibitor
type: Class
subclass of: biological role
IAO_0000115: A substance that diminishes the rate of a chemical reaction.
id: CHEBI:35222
has OBO namespace: chebi_ontology
has related synonym: inhibidor
has related synonym: inhibiteur
has exact synonym: inhibitor
has related synonym: inhibitors
in subset: 3 STAR

catalyst
type: Class
subclass of: chemical role
IAO_0000115: A substance that increases the rate of a reaction without modifying the overall standard Gibbs energy change in the reaction.
id: CHEBI:35223
has related synonym: Katalysator
has related synonym: catalizador
has related synonym: catalyseur
has exact synonym: catalyst
has OBO namespace: chebi_ontology
in subset: 3 STAR

fossil fuel
type: Class
subclass of: fuel
IAO_0000115: A fuel such as coal, oil and natural gas which has formed over many years through the decomposition of deposited vegetation which was under extreme pressure of an overburden of earth.
id: CHEBI:35230
has OBO namespace: chebi_ontology
has exact synonym: fossil fuel
in subset: 3 STAR

L-cysteine zwitterion
type: Class
subclass of: cysteine zwitterion
has related synonym: (2R)-2-ammonio-3-mercaptopropanoate
has exact synonym: (2R)-2-ammonio-3-sulfanylpropanoate
charge: 0
monoisotopicmass: 121.020
mass: 121.15922
formula: C3H7NO2S
id: CHEBI:35235
has db xref: Gmelin:49993
inchi: InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1
has related synonym: L-cysteine
has exact synonym: L-cysteine zwitterion
inchikey: XUJNEKJLAYXESH-REOHCLBHSA-N
smiles: [NH3+][C@@H](CS)C([O-])=O
has OBO namespace: chebi_ontology
in subset: 3 STAR

D-cysteine zwitterion
type: Class
subclass of: cysteine zwitterion
has related synonym: (2S)-2-ammonio-3-mercaptopropanoate
has exact synonym: (2S)-2-ammonio-3-sulfanylpropanoate
charge: 0
monoisotopicmass: 121.020
mass: 121.15922
formula: C3H7NO2S
id: CHEBI:35236
has related synonym: D-cysteine
has exact synonym: D-cysteine zwitterion
has db xref: Gmelin:2352354
inchi: InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m1/s1
inchikey: XUJNEKJLAYXESH-UWTATZPHSA-N
smiles: [NH3+][C@H](CS)C([O-])=O
has OBO namespace: chebi_ontology
in subset: 3 STAR

cysteine zwitterion
type: Class
subclass of: amino acid zwitterion
has related synonym: (+)H3N-CH(CH2SH)-COO(-)
charge: 0
monoisotopicmass: 121.020
mass: 121.15922
has related synonym: 2-ammonio-3-mercaptopropanoate
has exact synonym: 2-ammonio-3-sulfanylpropanoate
formula: C3H7NO2S
id: CHEBI:35237
has db xref: Gmelin:49992
inchi: InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)
inchikey: XUJNEKJLAYXESH-UHFFFAOYSA-N
smiles: [NH3+]C(CS)C([O-])=O
has OBO namespace: chebi_ontology
has exact synonym: cysteine zwitterion
in subset: 3 STAR

amino acid zwitterion
type: Class
subclass of: zwitterion
id: CHEBI:35238
IAO_0000115: The zwitterionic form of an amino acid having a negatively charged carboxyl group and a positively charged amino group.
has exact synonym: amino acid zwitterion
has OBO namespace: chebi_ontology
in subset: 3 STAR

serine zwitterion
type: Class
subclass of: amino acid zwitterion
charge: 0
monoisotopicmass: 105.043
mass: 105.09262
has exact synonym: 2-ammonio-3-hydroxypropanoate
IAO_0000115: An amino acid zwitterion obtained by transfer of a proton from the carboxy to the amnio group of serine.
has db xref: Beilstein:3935647
formula: C3H7NO3
id: CHEBI:35243
has db xref: Gmelin:2060272
inchi: InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)
inchikey: MTCFGRXMJLQNBG-UHFFFAOYSA-N
smiles: [NH3+]C(CO)C([O-])=O
has OBO namespace: chebi_ontology
has exact synonym: serine zwitterion
in subset: 3 STAR

quaternary ammonium ion
type: Class
subclass of: organic cation
subclass of: ammonium ion
charge: +1
monoisotopicmass: 14.003
mass: 14.00670
IAO_0000115: A derivative of ammonium, NH4(+), in which all four of the hydrogens bonded to nitrogen have been replaced with univalent (usually organyl) groups.
has alternative id: CHEBI:26470
id: CHEBI:35267
has alternative id: CHEBI:8693
has db xref: KEGG:C06703
formula: NR4
has related synonym: Quaternary amine
smiles: [*][N+]([*])([*])[*]
has OBO namespace: chebi_ontology
has related synonym: quaternary ammonium
has exact synonym: quaternary ammonium ion
has related synonym: quaternary ammonium ions
in subset: 3 STAR

quaternary ammonium salt
type: Class
subclass of: quaternary nitrogen compound
subclass of: organoammonium salt
subclass of: Restriction
  on property: has part
  some values from: quaternary ammonium ion
has alternative id: CHEBI:26468
has alternative id: CHEBI:35268
id: CHEBI:35273
IAO_0000115: Derivatives of ammonium compounds, (NH4(+))Y(-), in which all four of the hydrogens bonded to nitrogen have been replaced with univalent (usually organyl) groups.
has OBO namespace: chebi_ontology
has related synonym: quaternary ammonium compound
has exact synonym: quaternary ammonium compounds
has exact synonym: quaternary ammonium salt
has related synonym: quaternary ammonium salts
in subset: 3 STAR

ammonium ion
type: Class
subclass of: polyatomic cation
subclass of: nitrogen molecular entity
IAO_0000115: Ammonium, NH4(+), and derivatives formed by substitution by univalent groups.
id: CHEBI:35274
has related synonym: ammonium ions
has related synonym: azanium ions
has OBO namespace: chebi_ontology
in subset: 3 STAR

ammonium compound
type: Class
subclass of: nitrogen molecular entity
subclass of: Restriction
  on property: has part
  some values from: ammonium ion
id: CHEBI:35276
IAO_0000115: Compounds (NH4(+))Y(-) and derivatives, in which one or more of the hydrogens bonded to nitrogen have been replaced with univalent groups.
has related synonym: ammonium compounds
has exact synonym: azanium compounds
has OBO namespace: chebi_ontology
in subset: 3 STAR

onium betaine
type: Class
subclass of: zwitterion
id: CHEBI:35281
IAO_0000115: Neutral molecules having charge-separated forms with an onium atom which bears no hydrogen atoms and that is not adjacent to the anionic atom.
has exact synonym: betaines
has OBO namespace: chebi_ontology
has related synonym: onium betaines
in subset: 3 STAR

ammonium betaine
type: Class
subclass of: quaternary nitrogen compound
subclass of: onium betaine
IAO_0000115: Any neutral molecule having charge-separated forms with a quaternary ammonium atom which bears no hydrogen atoms and that is not adjacent to the anionic atom.
id: CHEBI:35284
has related synonym: ammonium betaines
has OBO namespace: chebi_ontology
in subset: 3 STAR

acylcholine
type: Class
subclass of: quaternary ammonium ion
charge: +1
monoisotopicmass: 131.095
mass: 131.17290
IAO_0000115: A choline ester formed from choline and a carboxylic acid.
formula: C6H13NO2R
has alternative id: CHEBI:13245
has alternative id: CHEBI:22227
has alternative id: CHEBI:2463
id: CHEBI:35287
smiles: C[N+](C)(C)CCOC([*])=O
has db xref: KEGG:C01777
has related synonym: acylcholines
has related synonym: an acylcholine
has OBO namespace: chebi_ontology
in subset: 3 STAR

all-trans-retinoate
type: Class
subclass of: retinoate
has exact synonym: (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoate
charge: -1
monoisotopicmass: 299.201
mass: 299.42718
IAO_0000115: A retinoate that is the conjugate base of all-trans-retinoic acid.
formula: C20H27O2
smiles: CC(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(C)=C/C([O-])=O
has alternative id: CHEBI:26535
id: CHEBI:35291
inchi: InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/p-1/b9-6+,12-11+,15-8+,16-14+
has db xref: KEGG:C00777
has related synonym: Retinoate
inchikey: SHGAZHPCJJPHSC-YCNIQYBTSA-M
has exact synonym: all-trans-Retinoate
has exact synonym: all-trans-retinoate
has OBO namespace: chebi_ontology
in subset: 3 STAR

carbopolycyclic compound
type: Class
subclass of: carbocyclic compound
subclass of: homopolycyclic compound
IAO_0000115: A polyclic compound in which all of the ring members are carbon atoms.
id: CHEBI:35294
has related synonym: carbopolycyclic compounds
has OBO namespace: chebi_ontology
in subset: 3 STAR

homopolycyclic compound
type: Class
subclass of: homocyclic compound
subclass of: polycyclic compound
id: CHEBI:35295
has OBO namespace: chebi_ontology
has related synonym: homopolycyclic compounds
in subset: 3 STAR

hexoside
type: Class
subclass of: glycoside
id: CHEBI:35313
has OBO namespace: chebi_ontology
has exact synonym: hexoside
has related synonym: hexosides
in subset: 3 STAR

cephaeline
type: Class
subclass of: pyridoisoquinoline
charge: 0
monoisotopicmass: 466.283
mass: 466.61240
has exact synonym: 7',10,11-trimethoxyemetan-6'-ol
IAO_0000115: A pyridoisoquinoline comprising emetam having a hydroxy group at the 6'-position and methoxy substituents at the 7'-, 10- and 11-positions.
has db xref: Beilstein:100615
formula: C28H38N2O4
has db xref: CAS:483-17-0
id: CHEBI:3533
has related synonym: Cephaelin
has exact synonym: Cephaeline
inchikey: DTGZHCFJNDAHEN-OZEXIGSWSA-N
inchi: InChI=1S/C28H38N2O4/c1-5-17-16-30-9-7-19-13-27(33-3)28(34-4)15-22(19)24(30)11-20(17)10-23-21-14-26(32-2)25(31)12-18(21)6-8-29-23/h12-15,17,20,23-24,29,31H,5-11,16H2,1-4H3/t17-,20-,23+,24-/m0/s1
has db xref: KEGG:C09390
has db xref: KNApSAcK:C00001835
has db xref: LINCS:LSM-3808
has db xref: PMID:11411558
has db xref: PMID:11913711
has db xref: PMID:11996324
has db xref: PMID:12880315
has db xref: PMID:13437707
has db xref: PMID:18327911
has db xref: PMID:20061395
has db xref: PMID:20495341
has db xref: PMID:21228475
has db xref: PMID:2715231
has db xref: PMID:6716976
has db xref: Reaxys:100615
has OBO namespace: chebi_ontology
in subset: 3 STAR

central nervous system stimulant
type: Class
subclass of: central nervous system drug
IAO_0000115: Any drug that enhances the activity of the central nervous system.
id: CHEBI:35337
has related synonym: CNS stimulant
has db xref: Wikipedia:Central_nervous_system_stimulants
has related synonym: analeptic
has related synonym: analeptic agent
has related synonym: analeptic drug
has related synonym: analeptics
has exact synonym: central nervous system stimulant
has related synonym: central stimulant
has OBO namespace: chebi_ontology
in subset: 3 STAR

steroid
type: Class
subclass of: lipid
subclass of: organic polycyclic compound
charge: 0
monoisotopicmass: 259.243
mass: 259.450
IAO_0000115: Any of naturally occurring compounds and synthetic analogues, based on the cyclopenta[a]phenanthrene carbon skeleton, partially or completely hydrogenated; there are usually methyl groups at C-10 and C-13, and often an alkyl group at C-17. By extension, one or more bond scissions, ring expansions and/or ring contractions of the skeleton may have occurred. Natural steroids are derived biogenetically from squalene, so may be considered as triterpenoids.
smiles: C12C(C3C(C(CC3)*)(C)CC1)CCC4C2(CCCC4)C
formula: C19H31R
has alternative id: CHEBI:13687
has alternative id: CHEBI:26768
id: CHEBI:35341
has alternative id: CHEBI:9263
has db xref: KEGG:C00377
has db xref: MetaCyc:Steroids
has exact synonym: Steroid
has related synonym: a steroid
has OBO namespace: chebi_ontology
has exact synonym: steroids
in subset: 3 STAR

17alpha-hydroxy steroid
type: Class
subclass of: 17-hydroxy steroid
has related synonym: 17-alpha-Hydroxysteroid
has related synonym: 17alpha-hydroxy steroids
has alternative id: CHEBI:13585
has alternative id: CHEBI:19174
id: CHEBI:35342
has alternative id: CHEBI:782
has db xref: KEGG:C03336
IAO_0000115: The alpha-stereoisomer of 17-hydroxy steroid.
has OBO namespace: chebi_ontology
in subset: 3 STAR

17beta-hydroxy steroid
type: Class
subclass of: 17-hydroxy steroid
has related synonym: 17beta-Hydroxysteroid
has related synonym: 17beta-hydroxy steroids
IAO_0000115: A 17-hydroxy steroid in which the hydroxy group at position 17 has a beta-configuration.
has alternative id: CHEBI:19176
id: CHEBI:35343
has alternative id: CHEBI:794
has db xref: KEGG:C03051
has OBO namespace: chebi_ontology
in subset: 3 STAR

21-hydroxy steroid
type: Class
subclass of: hydroxy steroid
has related synonym: 21-Hydroxysteroid
has related synonym: 21-hydroxy steroids
has related synonym: 21-hydroxysteroids
has alternative id: CHEBI:1300
has alternative id: CHEBI:13596
has alternative id: CHEBI:19803
id: CHEBI:35344
has db xref: KEGG:C02506
has OBO namespace: chebi_ontology
in subset: 3 STAR

11beta-hydroxy steroid
type: Class
subclass of: 11-hydroxy steroid
charge: 0
has related synonym: 11beta-Hydroxysteroid
has related synonym: 11beta-hydroxy steroids
has related synonym: 11beta-hydroxysteroids
monoisotopicmass: 275.237
mass: 275.450
IAO_0000115: Any 11-hydroxy steroid in which the hydroxy group at position 11 has beta- configuration.
smiles: C12(CCCCC1CCC3C2[C@H](CC4(C3CCC4*)C)O)C
formula: C19H31OR
has alternative id: CHEBI:13774
has alternative id: CHEBI:19134
id: CHEBI:35346
has alternative id: CHEBI:738
has db xref: KEGG:C01058
has related synonym: an 11beta-hydroxysteroid
has OBO namespace: chebi_ontology
in subset: 3 STAR

3beta-sterol
type: Class
subclass of: sterol
subclass of: 3beta-hydroxy steroid
charge: 0
monoisotopicmass: 275.237
mass: 275.450
has related synonym: 3beta-hydroxysteroids
has related synonym: 3beta-sterols
IAO_0000115: A sterol in which the hydroxy group at position 3 has beta- configuration.
formula: C19H31OR
has alternative id: CHEBI:13609
has alternative id: CHEBI:1725
has alternative id: CHEBI:1726
has alternative id: CHEBI:20248
id: CHEBI:35348
has related synonym: a 3beta-hydroxysterol
has OBO namespace: chebi_ontology
in subset: 3 STAR

hydroxy steroid
type: Class
subclass of: organic hydroxy compound
subclass of: steroid
has alternative id: CHEBI:24748
id: CHEBI:35350
has alternative id: CHEBI:5814
has related synonym: Hydroxysteroid
has db xref: KEGG:C02159
has OBO namespace: chebi_ontology
has related synonym: hydroxy steroids
has related synonym: hydroxysteroids
in subset: 3 STAR

organonitrogen compound
type: Class
subclass of: heteroorganic entity
subclass of: nitrogen molecular entity
IAO_0000115: Any heteroorganic entity containing at least one carbon-nitrogen bond.
id: CHEBI:35352
has OBO namespace: chebi_ontology
has exact synonym: organonitrogen compounds
has related synonym: organonitrogens
in subset: 3 STAR

fatty acid
type: Class
subclass of: lipid
subclass of: monocarboxylic acid
charge: 0
monoisotopicmass: 44.998
mass: 45.01740
IAO_0000115: Any aliphatic monocarboxylic acid derived from or contained in esterified form in an animal or vegetable fat, oil or wax.
has alternative id: CHEBI:13633
has alternative id: CHEBI:24024
id: CHEBI:35366
has alternative id: CHEBI:4984
formula: CHO2R
has exact synonym: Fatty acid
has related synonym: Fettsaeure
has related synonym: Fettsaeuren
has db xref: KEGG:C00162
smiles: OC([*])=O
has db xref: PMID:14287444
has db xref: PMID:14300208
has db xref: PMID:14328676
has db xref: Wikipedia:Fatty_acid
has related synonym: acide gras
has related synonym: acides gras
has related synonym: acido graso
has related synonym: acidos grasos
has OBO namespace: chebi_ontology
has related synonym: fatty acids
has exact synonym: fatty acids
in subset: 3 STAR

thiocarboxylic acid anion
type: Class
subclass of: organic anion
id: CHEBI:35367
has OBO namespace: chebi_ontology
has related synonym: thiocarboxylates
has related synonym: thiocarboxylic acid anions
in subset: 3 STAR

monosaccharide
type: Class
subclass of: carbohydrate
has alternative id: CHEBI:25407
id: CHEBI:35381
has alternative id: CHEBI:6984
has db xref: KEGG:C06698
has related synonym: Monosaccharid
has exact synonym: Monosaccharide
has related synonym: Monosacharid
IAO_0000115: Parent monosaccharides are polyhydroxy aldehydes H[CH(OH)]nC(=O)H or polyhydroxy ketones H-[CHOH]n-C(=O)[CHOH]m-H with three or more carbon atoms. The generic term 'monosaccharide' (as opposed to oligosaccharide or polysaccharide) denotes a single unit, without glycosidic connection to other such units. It includes aldoses, dialdoses, aldoketoses, ketoses and diketoses, as well as deoxy sugars, provided that the parent compound has a (potential) carbonyl group.
has OBO namespace: chebi_ontology
has related synonym: monosacarido
has related synonym: monosacaridos
has exact synonym: monosaccharide
has exact synonym: monosaccharides
in subset: 3 STAR

oxoanion
type: Class
subclass of: oxide
subclass of: polyatomic anion
IAO_0000115: An oxoanion is an anion derived from an oxoacid by loss of hydron(s) bound to oxygen.
has alternative id: CHEBI:33274
has alternative id: CHEBI:33436
id: CHEBI:35406
has OBO namespace: chebi_ontology
has related synonym: oxoacid anions
has exact synonym: oxoanion
has related synonym: oxoanions
in subset: 3 STAR

N-acetylneuraminate
type: Class
subclass of: N-acetylneuraminates
charge: -1
monoisotopicmass: 308.098
mass: 308.26196
has exact synonym: 5-acetamido-3,5-dideoxy-D-galacto-non-2-ulopyranosonate
has exact synonym: 5-acetamido-3,5-dideoxy-D-glycero-D-galacto-non-2-ulosonate
IAO_0000115: A ketoaldonate that is the conjugate base of N-acetylneuraminic acid, obtained by deprotonation of the carboxy group.
formula: C11H18NO9
has alternative id: CHEBI:12471
has alternative id: CHEBI:12579
has alternative id: CHEBI:21617
has alternative id: CHEBI:33987
id: CHEBI:35418
inchi: InChI=1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/p-1/t5-,6+,7+,8+,9+,11?/m0/s1
has db xref: MetaCyc:N-ACETYLNEURAMINATE
has exact synonym: N-acetylneuraminate
has db xref: Reaxys:9227329
inchikey: SQVRNKJHWKZAKO-LUWBGTNYSA-M
has OBO namespace: chebi_ontology
has related synonym: sialate
in subset: 3 STAR

antiinfective agent
type: Class
subclass of: drug
IAO_0000115: A substance used in the prophylaxis or therapy of infectious diseases.
id: CHEBI:35441
has related synonym: anti-infective agents
has related synonym: anti-infective drugs
has related synonym: antiinfective agents
has related synonym: antiinfective drug
has OBO namespace: chebi_ontology
in subset: 3 STAR

antiparasitic agent
type: Class
subclass of: antiinfective agent
IAO_0000115: A substance used to treat or prevent parasitic infections.
id: CHEBI:35442
has db xref: Wikipedia:Antiparasitic
has related synonym: antiparasitic drugs
has related synonym: antiparasitics
has OBO namespace: chebi_ontology
has related synonym: parasiticides
in subset: 3 STAR

antidepressant
type: Class
subclass of: psychotropic drug
IAO_0000115: Antidepressants are mood-stimulating drugs used primarily in the treatment of affective disorders and related conditions.
id: CHEBI:35469
has related synonym: antidepressant drugs
has related synonym: antidepressants
has OBO namespace: chebi_ontology
has related synonym: thymoanaleptics
has related synonym: thymoleptic drugs
has related synonym: thymoleptics
in subset: 3 STAR

central nervous system drug
type: Class
subclass of: drug
IAO_0000115: A class of drugs producing both physiological and psychological effects through a variety of mechanisms involving the central nervous system.
id: CHEBI:35470
has related synonym: CNS agent
has related synonym: CNS drugs
has related synonym: central nervous system agents
has OBO namespace: chebi_ontology
in subset: 3 STAR

psychotropic drug
type: Class
subclass of: central nervous system drug
IAO_0000115: A loosely defined grouping of drugs that have effects on psychological function.
id: CHEBI:35471
has db xref: Wikipedia:Psychotropic_drug
has OBO namespace: chebi_ontology
has related synonym: psychoactive agent
has related synonym: psychoactive drugs
has related synonym: psychopharmaceuticals
has related synonym: psychotropic drugs
in subset: 3 STAR

anti-inflammatory drug
type: Class
subclass of: drug
subclass of: anti-inflammatory agent
IAO_0000115: A substance that reduces or suppresses inflammation.
id: CHEBI:35472
has related synonym: anti-inflammatory drugs
has related synonym: antiinflammatory agent
has related synonym: antiinflammatory drug
has related synonym: antiinflammatory drugs
has OBO namespace: chebi_ontology
in subset: 3 STAR

tranquilizing drug
type: Class
subclass of: psychotropic drug
subclass of: central nervous system depressant
IAO_0000115: A traditional grouping of drugs said to have a soothing or calming effect on mood, thought or behaviour.
id: CHEBI:35473
has related synonym: ataractics
has OBO namespace: chebi_ontology
has related synonym: tranquilising drug
has related synonym: tranquilizing drugs
has related synonym: tranquillising agent
has related synonym: tranquillizing agents
in subset: 3 STAR

anxiolytic drug
type: Class
subclass of: tranquilizing drug
IAO_0000115: Anxiolytic drugs are agents that alleviate anxiety, tension, and anxiety disorders, promote sedation, and have a calming effect without affecting clarity of consciousness or neurologic conditions.
id: CHEBI:35474
has related synonym: anti-anxiety agents
has related synonym: anti-anxiety drugs
has related synonym: anxiolytic agents
has related synonym: anxiolytics
has OBO namespace: chebi_ontology
has related synonym: minor tranquilisers
has related synonym: minor tranquilizers
has related synonym: minor tranquilizing agents
in subset: 3 STAR

alkali metal salt
type: Class
subclass of: salt
subclass of: alkali metal molecular entity
id: CHEBI:35479
has related synonym: alkali metal salts
has OBO namespace: chebi_ontology
in subset: 3 STAR

analgesic
type: Class
subclass of: drug
subclass of: pharmacological role
IAO_0000115: An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms.
id: CHEBI:35480
has OBO namespace: chebi_ontology
in subset: 3 STAR

non-narcotic analgesic
type: Class
subclass of: analgesic
IAO_0000115: A drug that has principally analgesic, antipyretic and anti-inflammatory actions. Non-narcotic analgesics do not bind to opioid receptors.
id: CHEBI:35481
has OBO namespace: chebi_ontology
in subset: 3 STAR

central nervous system depressant
type: Class
subclass of: central nervous system drug
IAO_0000115: A loosely defined group of drugs that tend to reduce the activity of the central nervous system.
id: CHEBI:35488
has related synonym: CNS depressants
has related synonym: central nervous system depressants
has OBO namespace: chebi_ontology
in subset: 3 STAR

organic disulfide
type: Class
subclass of: organosulfur compound
subclass of: disulfide
charge: 0
monoisotopicmass: 63.944
mass: 64.13000
id: CHEBI:35489
IAO_0000115: Compounds of structure RSSR in which R and R' are organic groups.
formula: S2R2
smiles: [*]SS[*]
has related synonym: an organic disulfide
has OBO namespace: chebi_ontology
has exact synonym: disulfides
has related synonym: organic disulfides
in subset: 3 STAR

cystine zwitterion
type: Class
subclass of: amino acid zwitterion
charge: 0
monoisotopicmass: 240.024
mass: 240.30256
has exact synonym: 3,3'-disulfanediylbis(2-ammoniopropanoate)
has related synonym: 3,3'-dithiobis(2-ammoniopropanoate)
IAO_0000115: An amino acid zwitterion that is the tautomer of cystine.
formula: C6H12N2O4S2
id: CHEBI:35492
has db xref: Gmelin:51007
inchi: InChI=1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)
inchikey: LEVWYRKDKASIDU-UHFFFAOYSA-N
smiles: [NH3+]C(CSSCC([NH3+])C([O-])=O)C([O-])=O
has OBO namespace: chebi_ontology
in subset: 3 STAR

diuretic
type: Class
subclass of: drug
IAO_0000115: An agent that promotes the excretion of urine through its effects on kidney function.
id: CHEBI:35498
has OBO namespace: chebi_ontology
has related synonym: diuretics
in subset: 3 STAR

alkaloid fundamental parent
type: Class
subclass of: natural product fundamental parent
id: CHEBI:35506
has related synonym: alkaloid fundamental parents
has OBO namespace: chebi_ontology
in subset: 3 STAR

natural product fundamental parent
type: Class
subclass of: organic fundamental parent
id: CHEBI:35507
has OBO namespace: chebi_ontology
has exact synonym: natural product fundamental parents
in subset: 3 STAR

steroid fundamental parent
type: Class
subclass of: steroid
subclass of: natural product fundamental parent
id: CHEBI:35508
has OBO namespace: chebi_ontology
has related synonym: steroid fundamental parents
in subset: 3 STAR

androstane
type: Class
subclass of: steroid fundamental parent
charge: 0
monoisotopicmass: 260.250
mass: 260.45738
has db xref: Beilstein:5247532
formula: C19H32
has db xref: CAS:24887-75-0
id: CHEBI:35509
inchi: InChI=1S/C19H32/c1-18-11-5-7-16(18)15-9-8-14-6-3-4-12-19(14,2)17(15)10-13-18/h14-17H,3-13H2,1-2H3/t14?,15-,16-,17-,18-,19-/m0/s1
has db xref: LIPID_MAPS_instance:LMST02020000
inchikey: QZLYKIGBANMMBK-FZFXZXLVSA-N
has exact synonym: androstane
has OBO namespace: chebi_ontology
in subset: 3 STAR

5alpha-cholestane
type: Class
subclass of: cholestane
has related synonym: (5alpha)-cholestane
charge: 0
monoisotopicmass: 372.376
mass: 372.67002
has exact synonym: 5alpha-cholestane
has db xref: Beilstein:2051806
formula: C27H48
has db xref: CAS:481-21-0
has alternative id: CHEBI:20650
id: CHEBI:35515
has db xref: HMDB:HMDB0041632
inchi: InChI=1S/C27H48/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h19-25H,6-18H2,1-5H3/t20-,21-,22+,23-,24+,25+,26+,27-/m1/s1
has db xref: Reaxys:2051806
IAO_0000115: The 5alpha-stereoisomer of cholestane.
inchikey: XIIAYQZJNBULGD-XWLABEFZSA-N
has related synonym: alpha-cholestane
has OBO namespace: chebi_ontology
in subset: 3 STAR

cholestane
type: Class
subclass of: steroid fundamental parent
charge: 0
monoisotopicmass: 372.376
mass: 372.67002
has db xref: Beilstein:5334741
formula: C27H48
has db xref: CAS:14982-53-7
id: CHEBI:35516
inchi: InChI=1S/C27H48/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h19-25H,6-18H2,1-5H3/t20-,21?,22+,23-,24+,25+,26+,27-/m1/s1
has db xref: LIPID_MAPS_instance:LMST01010000
has db xref: Wikipedia:Cholestane
inchikey: XIIAYQZJNBULGD-LDHZKLTISA-N
has OBO namespace: chebi_ontology
has exact synonym: cholestane
in subset: 3 STAR

cholane
type: Class
subclass of: steroid fundamental parent
charge: 0
monoisotopicmass: 330.329
mass: 330.59028
formula: C24H42
id: CHEBI:35519
inchi: InChI=1S/C24H42/c1-5-8-17(2)20-12-13-21-19-11-10-18-9-6-7-15-23(18,3)22(19)14-16-24(20,21)4/h17-22H,5-16H2,1-4H3/t17-,18?,19+,20-,21+,22+,23+,24-/m1/s1
inchikey: QSHQKIURKJITMZ-BRPMRXRMSA-N
has OBO namespace: chebi_ontology
has exact synonym: cholane
in subset: 3 STAR

beta-adrenergic agonist
type: Class
subclass of: adrenergic agonist
subclass of: beta-adrenergic drug
IAO_0000115: An agent that selectively binds to and activates beta-adrenergic receptors.
id: CHEBI:35522
has related synonym: beta-adrenergic agonists
has related synonym: beta-adrenergic receptor agonist
has related synonym: beta-adrenoceptor agonists
has OBO namespace: chebi_ontology
in subset: 3 STAR

sympathomimetic agent
type: Class
subclass of: adrenergic agent
IAO_0000115: A drug that mimics the effects of stimulating postganglionic adrenergic sympathetic nerves. Included in this class are drugs that directly stimulate adrenergic receptors and drugs that act indirectly by provoking the release of adrenergic transmitters.
id: CHEBI:35524
has OBO namespace: chebi_ontology
has related synonym: sympathomimetic
has related synonym: sympathomimetics
in subset: 3 STAR

hypoglycemic agent
type: Class
subclass of: drug
IAO_0000115: A drug which lowers the blood glucose level.
id: CHEBI:35526
has related synonym: antidiabetic
has related synonym: antihyperglycemic
has related synonym: antihyperglycemic agent
has related synonym: antihyperglycemic agents
has related synonym: antihyperglycemic drug
has related synonym: antihyperglycemic drugs
has related synonym: antihyperglycemics
has OBO namespace: chebi_ontology
has related synonym: hypoglycemic agents
has related synonym: hypoglycemic drug
has related synonym: hypoglycemic drugs
in subset: 3 STAR

bipyridine
type: Class
subclass of: bipyridines
has related synonym: Bipyridin
formula: C10H8N2
id: CHEBI:35545
has exact synonym: bipyridine
has related synonym: bipyridyl
has OBO namespace: chebi_ontology
in subset: 3 STAR

heterocyclic organic fundamental parent
type: Class
subclass of: organic fundamental parent
id: CHEBI:35552
has OBO namespace: chebi_ontology
has related synonym: heterocyclic fundamental parent
has related synonym: heterocyclic organic fundamental parents
has exact synonym: heterocyclic parent hydrides
has related synonym: organic heterocyclic fundamental parents
in subset: 3 STAR

cardiovascular drug
type: Class
subclass of: drug
IAO_0000115: A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume.
id: CHEBI:35554
has related synonym: cardiovascular agent
has related synonym: cardiovascular drugs
has OBO namespace: chebi_ontology
in subset: 3 STAR

mancude organic heteromonocyclic parent
type: Class
subclass of: organic heteromonocyclic compound
subclass of: mancude organic heterocyclic parent
id: CHEBI:35555
has OBO namespace: chebi_ontology
has related synonym: mancude organic heteromonocyclic parents
has related synonym: mancude-ring organic heteromonocyclic parents
in subset: 3 STAR

mancude ring
type: Class
subclass of: molecular entity
IAO_0000115: Any molecular entity that consists of a ring having (formally) the maximum number of noncumulative double bonds.
id: CHEBI:35568
has OBO namespace: chebi_ontology
has related synonym: mancude rings
has exact synonym: mancude-ring systems
has related synonym: mancunide-ring systems
in subset: 3 STAR

mancude organic heterobicyclic parent
type: Class
subclass of: organic heterobicyclic compound
subclass of: mancude organic heterocyclic parent
id: CHEBI:35570
has OBO namespace: chebi_ontology
has related synonym: mancude organic heterobicyclic parents
has related synonym: mancude-ring organic heterobicyclic parents
in subset: 3 STAR

mancude organic heterocyclic parent
type: Class
subclass of: heterocyclic organic fundamental parent
subclass of: organic mancude parent
id: CHEBI:35571
has OBO namespace: chebi_ontology
has related synonym: mancude organic heterocyclic parents
has related synonym: mancude-ring organic heterocyclic parents
in subset: 3 STAR

organic mancude parent
type: Class
subclass of: organic fundamental parent
subclass of: mancude ring
id: CHEBI:35573
has OBO namespace: chebi_ontology
has related synonym: organic mancude parents
has related synonym: organic mancude-ring parents
in subset: 3 STAR

purine
type: Class
subclass of: purines
subclass of: mancude organic heterobicyclic parent
IAO_0000115: A heterobicyclic aromatic organic compound comprising a pyrimidine ring fused to an imidazole ring; the parent compound of the purines.
formula: C5H4N4
id: CHEBI:35584
has db xref: HMDB:HMDB0001366
has db xref: KEGG:C15587
has db xref: MetaCyc:PURINE
has db xref: PMID:12865945
has db xref: PMID:24088627
has OBO namespace: chebi_ontology
has exact synonym: purine
in subset: 3 STAR

1H-purine
type: Class
subclass of: purine
charge: 0
monoisotopicmass: 120.044
mass: 120.11210
has exact synonym: 1H-purine
formula: C5H4N4
id: CHEBI:35586
has db xref: Gmelin:2379911
inchi: InChI=1S/C5H4N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3H,(H,6,7,8,9)
inchikey: KDCGOANMDULRCW-UHFFFAOYSA-N
IAO_0000115: The 1H-tautomer of purine.
smiles: c1nc2c[nH]cnc2n1
has OBO namespace: chebi_ontology
in subset: 3 STAR

3H-purine
type: Class
subclass of: purine
charge: 0
monoisotopicmass: 120.044
mass: 120.11222
has exact synonym: 3H-purine
formula: C5H4N4
id: CHEBI:35588
inchi: InChI=1S/C5H4N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3H,(H,6,7,8,9)
inchikey: KDCGOANMDULRCW-UHFFFAOYSA-N
has db xref: PMID:6149478
has db xref: PMID:7178185
has db xref: PMID:7296170
has db xref: Reaxys:1210196
IAO_0000115: The 3H-tautomer of purine.
smiles: c1nc2cnc[nH]c2n1
has OBO namespace: chebi_ontology
in subset: 3 STAR

9H-purine
type: Class
subclass of: purine
charge: 0
monoisotopicmass: 120.044
mass: 120.11222
has exact synonym: 9H-purine
has db xref: Beilstein:606899
formula: C5H4N4
has db xref: CAS:120-73-0
id: CHEBI:35589
has db xref: Gmelin:3120
inchi: InChI=1S/C5H4N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3H,(H,6,7,8,9)
inchikey: KDCGOANMDULRCW-UHFFFAOYSA-N
IAO_0000115: The 9H-tautomer of purine.
has db xref: Wikipedia:Purine
smiles: c1ncc2nc[nH]c2n1
has OBO namespace: chebi_ontology
in subset: 3 STAR

carbon oxoanion
type: Class
subclass of: organic anion
subclass of: oxoanion
subclass of: organooxygen compound
IAO_0000115: A negative ion consisting solely of carbon and oxygen atoms, and therefore having the general formula CxOy(n-) for some integers x, y and n.
id: CHEBI:35604
has exact synonym: carbon oxoanion
has related synonym: carbon oxoanions
has OBO namespace: chebi_ontology
has related synonym: oxocarbon anion
has related synonym: oxocarbon anions
in subset: 3 STAR

carbon oxoacid
type: Class
subclass of: oxoacid
subclass of: organooxygen compound
id: CHEBI:35605
has related synonym: carbon oxoacids
has OBO namespace: chebi_ontology
has related synonym: oxoacids of carbon
in subset: 3 STAR

antineoplastic agent
type: Class
subclass of: drug
IAO_0000115: A substance that inhibits or prevents the proliferation of neoplasms.
id: CHEBI:35610
has related synonym: anticancer agent
has related synonym: anticancer agents
has related synonym: antineoplastic
has related synonym: antineoplastic agents
has OBO namespace: chebi_ontology
has related synonym: cytostatic
in subset: 3 STAR

flavouring agent
type: Class
subclass of: food additive
IAO_0000115: A food additive that is used to added improve the taste or odour of a food.
id: CHEBI:35617
has OBO namespace: chebi_ontology
has related synonym: flavoring agent
has related synonym: flavoring agents
has related synonym: flavour enhancer
has related synonym: flavour enhancers
has related synonym: flavouring agents
in subset: 3 STAR

aromatic ether
type: Class
subclass of: ether
subclass of: organic aromatic compound
IAO_0000115: Any ether in which the oxygen is attached to at least one aryl substituent.
id: CHEBI:35618
has OBO namespace: chebi_ontology
in subset: 3 STAR

vasodilator agent
type: Class
subclass of: cardiovascular drug
IAO_0000115: A drug used to cause dilation of the blood vessels.
id: CHEBI:35620
has OBO namespace: chebi_ontology
has related synonym: vasodilator
has related synonym: vasodilator agents
in subset: 3 STAR

anticonvulsant
type: Class
subclass of: central nervous system depressant
IAO_0000115: A drug used to prevent seizures or reduce their severity.
has related synonym: Antiepileptika
has related synonym: Antiepileptikum
has related synonym: Antikonvulsiva
has related synonym: Antikonvulsivum
id: CHEBI:35623
has related synonym: anti-convulsant
has related synonym: anti-convulsants
has related synonym: anti-convulsive agent
has related synonym: anti-convulsive agents
has related synonym: anticonvulsants
has related synonym: anticonvulsive agent
has related synonym: anticonvulsive agents
has related synonym: antiepileptic
has related synonym: antiepileptics
has related synonym: antiepileptique
has related synonym: antiepileptiques
has OBO namespace: chebi_ontology
in subset: 3 STAR

adrenergic uptake inhibitor
type: Class
subclass of: adrenergic agent
has related synonym: ARI
IAO_0000115: Adrenergic uptake inhibitors are drugs that block the transport of adrenergic transmitters into axon terminals or into storage vesicles within terminals. The tricyclic antidepressants and amphetamines are among the therapeutically important drugs that may act via inhibition of adrenergic transport. Many of these drugs also block transport of serotonin.
id: CHEBI:35640
has related synonym: NERI
has related synonym: NRI
has related synonym: adrenergic reuptake inhibitor
has related synonym: adrenergic reuptake inhibitors
has related synonym: adrenergic uptake inhibitors
has OBO namespace: chebi_ontology
has related synonym: norepinephrine reuptake inhibitor
has related synonym: norepinephrine reuptake inhibitors
in subset: 3 STAR

5-ammoniolevulinate
type: Class
subclass of: amino acid zwitterion
charge: 0
monoisotopicmass: 131.058
mass: 131.12990
has related synonym: 5-aminolevulinate
has related synonym: 5-ammonio-4-oxopentanoate
has related synonym: 5-ammonio-4-oxovalerate
has exact synonym: 5-azaniumyl-4-oxopentanoate
formula: C5H9NO3
id: CHEBI:356416
inchi: InChI=1S/C5H9NO3/c6-3-4(7)1-2-5(8)9/h1-3,6H2,(H,8,9)
has db xref: PMID:14667225
IAO_0000115: The zwitterion formed from 5-aminolevulinic acid by transfer of a proton from the carboxy group to the amino group. It is the major species present at physiological pH.
inchikey: ZGXJTSGNIOSYLO-UHFFFAOYSA-N
smiles: [NH3+]CC(=O)CCC([O-])=O
has OBO namespace: chebi_ontology
in subset: 3 STAR

EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor
type: Class
subclass of: EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor
IAO_0000115: Any EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor that inhibits HMG-CoA reductases. Hydroxymethylglutaryl-CoA reductase inhibitors have been shown to lower directly cholesterol synthesis. The Enzyme Commission designation is EC 1.1.1.34 for the NADPH-dependent enzyme and EC 1.1.1.88 for an NADH-dependent enzyme.
id: CHEBI:35664
has related synonym: HMG-CoA reductase inhibitor
has related synonym: HMG-CoA reductase inhibitors
has db xref: PMID:1464741
has db xref: PMID:15531285
has db xref: PMID:20467214
has db xref: Wikipedia:HMG-CoA_reductase
has OBO namespace: chebi_ontology
has related synonym: hydroxymethylglutaryl-CoA reductase inhibitor
has related synonym: hydroxymethylglutaryl-CoA reductase inhibitors
in subset: 3 STAR

histamine agonist
type: Class
subclass of: histaminergic drug
IAO_0000115: A drug that binds to and activates histamine receptors. Although they have been suggested for a variety of clinical applications, histamine agonists have so far been more widely used in research than therapeutically.
id: CHEBI:35678
has OBO namespace: chebi_ontology
has related synonym: histamine agonists
in subset: 3 STAR

antilipemic drug
type: Class
subclass of: drug
IAO_0000115: A substance used to treat hyperlipidemia (an excess of lipids in the blood).
id: CHEBI:35679
has db xref: Wikipedia:Hypolipidemic_agent
has related synonym: antihyperlipemic
has related synonym: antihyperlipemics
has related synonym: antihyperlipidemic
has related synonym: antihyperlipidemic agent
has related synonym: antihyperlipidemic agents
has related synonym: antihyperlipidemic drug
has related synonym: antihyperlipidemic drugs
has related synonym: antihyperlipidemics
has related synonym: antilipemic
has related synonym: antilipemic drugs
has related synonym: antilipemics
has OBO namespace: chebi_ontology
has related synonym: hypolipidemic agent
has related synonym: hypolipidemic agents
in subset: 3 STAR

secondary alcohol
type: Class
subclass of: alcohol
charge: 0
monoisotopicmass: 30.011
mass: 30.02600
mass: 58.07910
IAO_0000115: A secondary alcohol is a compound in which a hydroxy group, -OH, is attached to a saturated carbon atom which has two other carbon atoms attached to it.
formula: CH2OR2
has alternative id: CHEBI:13425
has alternative id: CHEBI:13686
has alternative id: CHEBI:26617
id: CHEBI:35681
has alternative id: CHEBI:58662
has alternative id: CHEBI:8741
has alternative id: CHEBI:9077
has db xref: KEGG:C00432
has db xref: KEGG:C01612
smiles: OC([*])[*]
has related synonym: R-CHOH-R'
has exact synonym: Secondary alcohol
has related synonym: a secondary alcohol
has OBO namespace: chebi_ontology
has related synonym: secondary alcohols
in subset: 3 STAR

dicarboxylic acid
type: Class
subclass of: dicarboxylic acids and O-substituted derivatives
subclass of: carboxylic acid
IAO_0000115: Any carboxylic acid containing two carboxy groups.
has alternative id: CHEBI:23692
id: CHEBI:35692
has alternative id: CHEBI:36172
has alternative id: CHEBI:4501
has exact synonym: Dicarboxylic acid
has db xref: KEGG:C02028
has OBO namespace: chebi_ontology
has related synonym: dicarboxylic acids
in subset: 3 STAR

dicarboxylic acid anion
type: Class
subclass of: carboxylic acid anion
id: CHEBI:35693
has OBO namespace: chebi_ontology
has exact synonym: dicarboxylic acid anion
has related synonym: dicarboxylic acid anions
in subset: 3 STAR

dicarboxylic acid monoanion
type: Class
subclass of: dicarboxylic acid anion
IAO_0000115: Any dicarboxylic acid anion that is a monoanion obtained by the deprotonation of only one of the carboxy groups of the dicarboxylic acid.
id: CHEBI:35695
has OBO namespace: chebi_ontology
has related synonym: dicarboxylic acid monoanions
in subset: 3 STAR

ester
type: Class
subclass of: organooxygen compound
IAO_0000115: A compound formally derived from an oxoacid RkE(=O)l(OH)m (l > 0) and an alcohol, phenol, heteroarenol, or enol by linking with formal loss of water from an acidic hydroxy group of the former and a hydroxy group of the latter.
has alternative id: CHEBI:23960
id: CHEBI:35701
has alternative id: CHEBI:4859
has exact synonym: Ester
has db xref: KEGG:C00287
has db xref: Wikipedia:Ester
has OBO namespace: chebi_ontology
has related synonym: esters
in subset: 3 STAR

diethyl ether
type: Class
subclass of: volatile organic compound
subclass of: ether
charge: 0
has related synonym: 1,1'-oxybisethane
has exact synonym: 1,1'-oxydiethane
has related synonym: 3-oxapentane
monoisotopicmass: 74.073
mass: 74.12160
has related synonym: Aether
IAO_0000115: An ether in which the oxygen atom is linked to two ethyl groups.
has related synonym: Anesthetic ether
has db xref: Beilstein:1696894
formula: C4H10O
has db xref: CAS:60-29-7
smiles: CCOCC
has alternative id: CHEBI:23991
has alternative id: CHEBI:31565
id: CHEBI:35702
has exact synonym: Diethyl ether
has related synonym: Diethylaether
has db xref: Drug_Central:4417
has related synonym: Ether
has db xref: Gmelin:25444
inchi: InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3
has db xref: KEGG:C13240
has db xref: KEGG:D01772
has db xref: PMID:24443836
has related synonym: Pronarcol
has related synonym: R-610
inchikey: RTZKZFJDLAIYFH-UHFFFAOYSA-N
has db xref: Reaxys:1696894
has db xref: Wikipedia:Diethyl_ether
has related synonym: aether
has related synonym: aether pro narcosi
has OBO namespace: chebi_ontology
has related synonym: diethyl oxide
has related synonym: ethoxyethane
has related synonym: ethyl ether
has related synonym: ethyl oxide
in subset: 3 STAR

xenobiotic
type: Class
subclass of: biological role
IAO_0000115: A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
has alternative id: CHEBI:10074
has alternative id: CHEBI:27333
id: CHEBI:35703
has db xref: KEGG:C06708
has db xref: Wikipedia:Xenobiotic
has exact synonym: Xenobiotic
has OBO namespace: chebi_ontology
has exact synonym: xenobiotic
has related synonym: xenobiotic compounds
has exact synonym: xenobiotics
in subset: 3 STAR

immunosuppressive agent
type: Class
subclass of: immunomodulator
IAO_0000115: An agent that suppresses immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-cells or by inhibiting the activation of helper cells. In addition, an immunosuppressive agent is a role played by a compound which is exhibited by a capability to diminish the extent and/or voracity of an immune response.
id: CHEBI:35705
has OBO namespace: chebi_ontology
has related synonym: immunosuppressant
has related synonym: immunosuppressive agents
has related synonym: inmunosupresor
in subset: 3 STAR

sedative
type: Class
subclass of: central nervous system depressant
IAO_0000115: A central nervous system depressant used to induce drowsiness or sleep or to reduce psychological excitement or anxiety.
id: CHEBI:35717
has OBO namespace: chebi_ontology
has related synonym: hypnotics
has related synonym: hypnotics and sedatives
has related synonym: sedative drug
has related synonym: sedatives
has related synonym: sedatives and hypnotics
in subset: 3 STAR

antifungal agent
type: Class
subclass of: antimicrobial agent
IAO_0000115: An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
id: CHEBI:35718
has related synonym: antifungal
has related synonym: antifungal agents
has related synonym: antifungal drug
has related synonym: antifungal drugs
has related synonym: antifungals
has OBO namespace: chebi_ontology
in subset: 3 STAR

heparan sulfates
type: Class
subclass of: heparan
subclass of: sulfated glycosaminoglycan
id: CHEBI:35721
has OBO namespace: chebi_ontology
in subset: 1 STAR

sulfated glycosaminoglycan
type: Class
subclass of: glycosaminoglycan
subclass of: carbohydrate sulfate
id: CHEBI:35722
has OBO namespace: chebi_ontology
has related synonym: glycosaminoglycan sulfate
has related synonym: glycosaminoglycan sulfates
has related synonym: sulfated glycosaminoglycans
in subset: 3 STAR

carbohydrate sulfate
type: Class
subclass of: organic sulfate
subclass of: sulfuric ester
subclass of: carbohydrate derivative
id: CHEBI:35724
has related synonym: carbohydrate sulfates
has related synonym: carbohydrate sulphates
has OBO namespace: chebi_ontology
in subset: 3 STAR

dicarboxylic acid monoamide
type: Class
subclass of: dicarboxylic acid amide
has alternative id: CHEBI:13210
has alternative id: CHEBI:23691
id: CHEBI:35735
has alternative id: CHEBI:6976
has OBO namespace: chebi_ontology
has exact synonym: dicarboxylic acid monoamide
has related synonym: dicarboxylic acid monoamides
in subset: 3 STAR

monothiocarboxylic acid
type: Class
subclass of: thiocarboxylic acid
id: CHEBI:35737
IAO_0000115: Compounds in which one oxygen of a carboxy group has been replaced by divalent sulfur; RC(=O)SH or RC(=S)OH.
has OBO namespace: chebi_ontology
has exact synonym: monothiocarboxylic acid
has exact synonym: monothiocarboxylic acids
has related synonym: monothiocarboxylic acids
has related synonym: thio acid
in subset: 3 STAR

liposaccharide
type: Class
subclass of: lipid
subclass of: carbohydrate derivative
id: CHEBI:35740
has OBO namespace: chebi_ontology
has related synonym: liposaccharides
in subset: 3 STAR

glycerolipid
type: Class
subclass of: lipid
IAO_0000115: Any member of the group of lipids containing a common glycerol backbone to which at least one fatty acid-derived group is attached.
id: CHEBI:35741
has db xref: PMID:18606873
has OBO namespace: chebi_ontology
has related synonym: glycerolipids
in subset: 3 STAR

carbocyclic fatty acid
type: Class
subclass of: cyclic fatty acid
IAO_0000115: Any fatty acid containing a ring composed of carbon atoms.
id: CHEBI:35744
has related synonym: carbocyclic fatty acids
has OBO namespace: chebi_ontology
in subset: 3 STAR

tricarboxylic acid anion
type: Class
subclass of: carboxylic acid anion
IAO_0000115: Any anion of a tricarboxylic acid formed by deprotonation of at least one carboxy group.
id: CHEBI:35753
has OBO namespace: chebi_ontology
has exact synonym: tricarboxylic acid anion
has related synonym: tricarboxylic acid anions
in subset: 3 STAR

monocarboxylic acid anion
type: Class
subclass of: carboxylic acid anion
charge: -1
monoisotopicmass: 43.990
mass: 44.01000
IAO_0000115: A carboxylic acid anion formed when the carboxy group of a monocarboxylic acid is deprotonated.
has alternative id: CHEBI:13657
has alternative id: CHEBI:25382
has alternative id: CHEBI:3407
id: CHEBI:35757
formula: CO2R
has related synonym: Carboxylate
has db xref: KEGG:C00060
has related synonym: Monocarboxylate
smiles: [O-]C([*])=O
has related synonym: a monocarboxylate
has OBO namespace: chebi_ontology
has related synonym: monocarboxylates
has related synonym: monocarboxylic acid anions
in subset: 3 STAR

phosphate ion
type: Class
subclass of: phosphorus oxoanion
IAO_0000115: A phosphorus oxoanion that is the conjugate base of phosphoric acid.
id: CHEBI:35780
has related synonym: Pi
has OBO namespace: chebi_ontology
has related synonym: phosphate
has related synonym: phosphate ions
in subset: 3 STAR

diphosphate ion
type: Class
subclass of: phosphorus oxoanion
has alternative id: CHEBI:14177
has alternative id: CHEBI:35781
id: CHEBI:35782
has related synonym: PPi
has OBO namespace: chebi_ontology
has related synonym: diphosphate ions
in subset: 3 STAR

sphingoid
type: Class
subclass of: sphingolipid
id: CHEBI:35785
has db xref: LIPID_MAPS_class:LMSP01
has related synonym: Spd
IAO_0000115: Sphinganine, its homologs and stereoisomers, and the hydroxy and unsaturated derivatives of these compounds.
has OBO namespace: chebi_ontology
has exact synonym: sphingoid
has related synonym: sphingoid base
has related synonym: sphingoid bases
has related synonym: sphingoids
in subset: 3 STAR

phosphosphingolipid
type: Class
subclass of: phospholipid
subclass of: sphingolipid
id: CHEBI:35786
has OBO namespace: chebi_ontology
has related synonym: phosphosphingolipids
has related synonym: sphingophospholipid
has related synonym: sphingophospholipids
in subset: 3 STAR

seco-steroid
type: Class
subclass of: steroid
id: CHEBI:35788
has OBO namespace: chebi_ontology
has related synonym: seco-steroids
in subset: 3 STAR

oxo steroid
type: Class
subclass of: ketone
subclass of: steroid
has alternative id: CHEBI:24979
has alternative id: CHEBI:25804
id: CHEBI:35789
has OBO namespace: chebi_ontology
has related synonym: keto steroids
has related synonym: ketosteroids
has related synonym: oxo steroids
has related synonym: oxosteroids
in subset: 3 STAR

tetrapyrrole fundamental parent
type: Class
subclass of: tetrapyrrole
subclass of: natural product fundamental parent
id: CHEBI:35794
has OBO namespace: chebi_ontology
has related synonym: tetrapyrrole fundamental parents
in subset: 3 STAR

citrate(1-)
type: Class
subclass of: citrate anion
subclass of: tricarboxylic acid monoanion
charge: -1
mass: 191.11558
IAO_0000115: A tricarboxylic acid monoanion that is the conjugate base of citric acid, obtained by deprotonation of one of the three carboxy groups.
formula: C6H7O7
id: CHEBI:35804
has related synonym: H2cit
has related synonym: H2cit(-)
has OBO namespace: chebi_ontology
has exact synonym: dihydrogen citrate
in subset: 3 STAR

citrate(2-)
type: Class
subclass of: citrate anion
subclass of: tricarboxylic acid dianion
charge: -2
mass: 190.10764
IAO_0000115: A tricarboxylic acid dianion obtained by deprotonation of two of the three carboxy groups of citric acid.
formula: C6H6O7
id: CHEBI:35808
has related synonym: Hcit
has related synonym: Hcit(2-)
has OBO namespace: chebi_ontology
has exact synonym: hydrogen citrate
in subset: 3 STAR

branched-chain fatty acid
type: Class
subclass of: fatty acid
IAO_0000115: Any fatty acid in which the parent hydrocarbon chain has one or more alkyl substituents; a common component in animal and bacterial lipids. The fatty acyl chain is usually saturated and the substituent a methyl group; however, unsaturated BCFAs are found in marine animals, and branches other than methyl are found in microbial lipids.
has related synonym: BCFA
has related synonym: BCFAs
has related synonym: Branched chain fatty acid
has alternative id: CHEBI:22919
has alternative id: CHEBI:3166
id: CHEBI:35819
has db xref: KEGG:C05996
has db xref: PMID:18318842
has related synonym: branched fatty acid
has related synonym: branched fatty acids
has related synonym: branched-chain fatty acids
has OBO namespace: chebi_ontology
in subset: 3 STAR

antiprotozoal drug
type: Class
subclass of: antiparasitic agent
subclass of: antimicrobial drug
IAO_0000115: Any antimicrobial drug which is used to treat or prevent protozoal infections.
id: CHEBI:35820
has db xref: Wikipedia:Antiprotozoal_agent
has related synonym: antiprotozoal agent
has related synonym: antiprotozoal agents
has related synonym: antiprotozoal drugs
has OBO namespace: chebi_ontology
in subset: 3 STAR

anticholesteremic drug
type: Class
subclass of: antilipemic drug
IAO_0000115: A substance used to lower plasma cholesterol levels.
id: CHEBI:35821
has alternative id: CHEBI:64906
has related synonym: anticholesteremic
has related synonym: anticholesteremic agent
has related synonym: anticholesteremic drugs
has related synonym: antihypercholesterolemic
has related synonym: antihypercholesterolemic agent
has related synonym: antihypercholesterolemic agents
has related synonym: antihypercholesterolemic drug
has related synonym: antihypercholesterolemic drugs
has related synonym: antihypercholesterolemics
has OBO namespace: chebi_ontology
has related synonym: cholesterol inhibitor
has related synonym: hypocholesteremic agent
in subset: 3 STAR

mandelic acid
type: Class
subclass of: benzenes
subclass of: 2-hydroxy monocarboxylic acid
has related synonym: (RS)-Mandelic acid
charge: 0
monoisotopicmass: 152.047
mass: 152.14732
has related synonym: 2-Hydroxy-2-phenylacetic acid
has related synonym: 2-Hydroxy-2-phenylethanoic acid
IAO_0000115: A 2-hydroxy monocarboxylic acid that is acetic acid in which two of the methyl hydrogens are substituted by phenyl and hydroxyl groups.
has db xref: Beilstein:510011
formula: C8H8O3
has db xref: CAS:90-64-2
has alternative id: CHEBI:25149
has alternative id: CHEBI:32801
id: CHEBI:35825
has related synonym: DL-Mandelic acid
has db xref: Drug_Central:1629
has db xref: Gmelin:218213
has db xref: HMDB:HMDB0000703
inchikey: IWYDHOAUDWTVEP-UHFFFAOYSA-N
inchi: InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)
has related synonym: Mandelsaeure
smiles: OC(C(O)=O)c1ccccc1
has db xref: PMID:22770225
has db xref: PMID:24278065
has db xref: PMID:4813698
has db xref: Reaxys:510011
has db xref: Wikipedia:Mandelic_acid
has related synonym: alpha-hydroxybenzeneacetic acid
has OBO namespace: chebi_ontology
has exact synonym: hydroxy(phenyl)acetic acid
in subset: 3 STAR

hydroxy monocarboxylic acid
type: Class
subclass of: hydroxy carboxylic acid
subclass of: monocarboxylic acid
IAO_0000115: Any monocarboxylic acid which also contains a separate (alcoholic or phenolic) hydroxy substituent.
id: CHEBI:35868
has OBO namespace: chebi_ontology
has related synonym: hydroxy acid
has related synonym: hydroxy monocarboxylic acids
in subset: 3 STAR

oxo monocarboxylic acid
type: Class
subclass of: monocarboxylic acid
subclass of: oxo carboxylic acid
IAO_0000115: Any monocarboxylic acid having at least one additional oxo functional group.
id: CHEBI:35871
has OBO namespace: chebi_ontology
has related synonym: oxo monocarboxylic acids
in subset: 3 STAR

imidazopyrimidine
type: Class
subclass of: organic heterobicyclic compound
subclass of: heteroarene
subclass of: organonitrogen heterocyclic compound
id: CHEBI:35875
has OBO namespace: chebi_ontology
has related synonym: imidazopyrimidines
in subset: 3 STAR

pnictogen hydride
type: Class
subclass of: inorganic hydride
subclass of: pnictogen molecular entity
id: CHEBI:35881
has OBO namespace: chebi_ontology
has exact synonym: pnictogen hydride
has related synonym: pnictogen hydrides
in subset: 3 STAR

oxo monocarboxylic acid anion
type: Class
subclass of: monocarboxylic acid anion
subclass of: oxo carboxylic acid anion
has alternative id: CHEBI:35178
has alternative id: CHEBI:35901
id: CHEBI:35902
has OBO namespace: chebi_ontology
has related synonym: oxo monocarboxylic acid anions
in subset: 3 STAR

oxo carboxylic acid anion
type: Class
subclass of: carboxylic acid anion
IAO_0000115: Any carboxylic acid anion containing at least one oxo group.
id: CHEBI:35903
has OBO namespace: chebi_ontology
has related synonym: oxo carboxylic acid anions
in subset: 3 STAR

glutarate(1-)
type: Class
subclass of: glutarate
subclass of: dicarboxylic acid monoanion
charge: -1
monoisotopicmass: 131.034
mass: 131.10668
has exact synonym: 4-carboxybutanoate
IAO_0000115: A dicarboxylic acid monoanion that is the conjugate base of glutaric acid.
has db xref: Beilstein:3904478
formula: C5H7O4
has alternative id: CHEBI:30922
has alternative id: CHEBI:35906
id: CHEBI:35907
has db xref: Gmelin:326031
inchi: InChI=1S/C5H8O4/c6-4(7)2-1-3-5(8)9/h1-3H2,(H,6,7)(H,8,9)/p-1
inchikey: JFCQEDHGNNZCLN-UHFFFAOYSA-M
smiles: OC(=O)CCCC([O-])=O
has db xref: Reaxys:3904478
has OBO namespace: chebi_ontology
has related synonym: hydrogen glutarate
in subset: 3 STAR

2-oxo monocarboxylic acid
type: Class
subclass of: oxo monocarboxylic acid
charge: 0
has related synonym: 2-Oxo acid
has related synonym: 2-Oxocarboxylate
has related synonym: 2-oxo acid
has exact synonym: 2-oxo carboxylic acids
has related synonym: 2-oxo monocarboxylic acids
monoisotopicmass: 72.993
mass: 73.02750
IAO_0000115: Any monocarboxylic acid having a 2-oxo substituent.
formula: C2HO3R
has alternative id: CHEBI:11634
has alternative id: CHEBI:1238
has alternative id: CHEBI:13195
has alternative id: CHEBI:13594
has alternative id: CHEBI:19736
has alternative id: CHEBI:35909
id: CHEBI:35910
has db xref: KEGG:C00161
smiles: OC(=O)C([*])=O
has OBO namespace: chebi_ontology
in subset: 3 STAR

sterol ester
type: Class
subclass of: carboxylic ester
subclass of: steroid ester
charge: 0
has related synonym: 3-hydroxysteroid ester
has related synonym: 3-hydroxysteroid esters
monoisotopicmass: 302.225
mass: 302.452
IAO_0000115: A steroid ester obtained by formal condensation of the carboxy group of any carboxylic acid with the 3-hydroxy group of a sterol.
formula: C20H30O2R2
has alternative id: CHEBI:13220
has alternative id: CHEBI:15115
has alternative id: CHEBI:26770
has alternative id: CHEBI:26772
id: CHEBI:35915
has alternative id: CHEBI:9268
has alternative id: CHEBI:9269
has db xref: KEGG:C01958
has exact synonym: Sterol ester
has related synonym: Steryl ester
has related synonym: a steryl ester
has OBO namespace: chebi_ontology
in subset: 3 STAR

delta-amino acid
type: Class
subclass of: non-proteinogenic amino acid
IAO_0000115: A non-proteinogenic amino acid in which the amino group is located on the carbon atom at the position delta to the carboxy group.
id: CHEBI:35931
has OBO namespace: chebi_ontology
has related synonym: delta-amino acids
in subset: 3 STAR

pent-2-enoic acid
type: Class
subclass of: pentenoic acid
subclass of: alpha,beta-unsaturated monocarboxylic acid
charge: 0
monoisotopicmass: 100.052
mass: 100.11582
has related synonym: 2-pentenoic acid
IAO_0000115: A pentenoic acid having the double bond at position 2.
has related synonym: C5:1, n-3
formula: C5H8O2
has db xref: CAS:626-98-2
id: CHEBI:35939
inchi: InChI=1S/C5H8O2/c1-2-3-4-5(6)7/h3-4H,2H2,1H3,(H,6,7)
has db xref: LIPID_MAPS_instance:LMFA01030005
has related synonym: Pent-2-ensaeure
has related synonym: Propylidenessigsaeure
has db xref: Reaxys:1720310
inchikey: YIYBQIKDCADOSF-UHFFFAOYSA-N
smiles: [H]C(CC)=CC(O)=O
has related synonym: alpha-Butylen-alpha-carbonsaeure
has related synonym: alpha-pentenoic acid
has related synonym: alpha.beta-Pentensaeure
has related synonym: beta-Aethyl-acrylsaeure
has related synonym: beta-Aethylacrylsaeure
has related synonym: beta-ethyl acrylic acid
has OBO namespace: chebi_ontology
has exact synonym: pent-2-enoic acid
in subset: 3 STAR

neurotransmitter agent
type: Class
subclass of: drug
subclass of: pharmacological role
IAO_0000115: A substance used for its pharmacological action on any aspect of neurotransmitter systems. Neurotransmitter agents include agonists, antagonists, degradation inhibitors, uptake inhibitors, depleters, precursors, and modulators of receptor function.
id: CHEBI:35942
has OBO namespace: chebi_ontology
has related synonym: neurotransmitter agents
in subset: 3 STAR

4-oxo monocarboxylic acid
type: Class
subclass of: oxo monocarboxylic acid
has related synonym: 4-oxo acid
has related synonym: 4-oxo monocarboxylic acids
id: CHEBI:35950
has OBO namespace: chebi_ontology
in subset: 3 STAR

3-hydroxy monocarboxylic acid
type: Class
subclass of: hydroxy monocarboxylic acid
subclass of: 3-hydroxy carboxylic acid
has related synonym: 3-hydroxy acid
has related synonym: 3-hydroxy monocarboxylic acids
IAO_0000115: A hydroxy monocarboxylic acid that has a hydroxy group beta to the carboxy group.
id: CHEBI:35969
has related synonym: beta-hydroxy acid
has related synonym: beta-hydroxy acids
has related synonym: beta-hydroxy carboxylic acid
has related synonym: beta-hydroxy carboxylic acids
has OBO namespace: chebi_ontology
in subset: 3 STAR

dihydroxy monocarboxylic acid
type: Class
subclass of: hydroxy monocarboxylic acid
IAO_0000115: Any hydroxy monocarboxylic acid carrying at least two hydroxy groups.
id: CHEBI:35972
has OBO namespace: chebi_ontology
has related synonym: dihydroxy monocarboxylic acids
in subset: 3 STAR

diamino acid
type: Class
subclass of: amino acid
IAO_0000115: Any amino acid carrying two amino groups.
id: CHEBI:35987
has OBO namespace: chebi_ontology
in subset: 3 STAR

antimicrobial drug
type: Class
subclass of: antimicrobial agent
subclass of: antiinfective agent
IAO_0000115: A drug used to treat or prevent microbial infections.
id: CHEBI:36043
has related synonym: antimicrobial drugs
has OBO namespace: chebi_ontology
in subset: 3 STAR

antiviral drug
type: Class
subclass of: antiviral agent
subclass of: antimicrobial drug
IAO_0000115: A substance used in the prophylaxis or therapy of virus diseases.
id: CHEBI:36044
has related synonym: anti-viral drug
has related synonym: anti-virus drug
has related synonym: antiviral drugs
has OBO namespace: chebi_ontology
in subset: 3 STAR

hydroxy monocarboxylic acid anion
type: Class
subclass of: monocarboxylic acid anion
IAO_0000115: Any monocarboxylic acid anion carrying at least one hydroxy substituent.
id: CHEBI:36059
has OBO namespace: chebi_ontology
has related synonym: hydroxy monocarboxylic acid anions
has related synonym: hydroxymonocarboxylic acid anion
has related synonym: hydroxymonocarboxylic acid anions
in subset: 3 STAR

oxytocic
type: Class
subclass of: drug
IAO_0000115: A drug that stimulates contraction of the myometrium. Oxytocics are used to induce labour, obstetric at term, to prevent or control postpartum or postabortion haemorrhage, and to assess foetal status in high risk pregnancies. They may also be used alone or with other drugs to induce abortions (abortifacients).
id: CHEBI:36063
has OBO namespace: chebi_ontology
has exact synonym: oxytocic
has related synonym: oxytocic agents
has related synonym: oxytocic drugs
has related synonym: uterine stimulants
in subset: 3 STAR

cholanoid
type: Class
subclass of: steroid
has alternative id: CHEBI:22867
id: CHEBI:36078
has alternative id: CHEBI:50419
has db xref: LIPID_MAPS_class:LMST04
has related synonym: bile acids and derivatives
has OBO namespace: chebi_ontology
has related synonym: cholanoids
in subset: 3 STAR

protein
type: Class
subclass of: information biomacromolecule
subclass of: Restriction
  on property: has part
  some values from: protein polypeptide chain
IAO_0000115: A biological macromolecule minimally consisting of one polypeptide chain synthesized at the ribosome.
has alternative id: CHEBI:13677
has alternative id: CHEBI:14911
id: CHEBI:36080
has OBO namespace: chebi_ontology
has exact synonym: proteins
in subset: 3 STAR

inorganic chloride
type: Class
subclass of: chloride salt
subclass of: inorganic salt
id: CHEBI:36093
has OBO namespace: chebi_ontology
has related synonym: inorganic chloride salt
has related synonym: inorganic chloride salts
has related synonym: inorganic chlorides
in subset: 3 STAR

quinone
type: Class
subclass of: cyclic ketone
has alternative id: CHEBI:13684
has alternative id: CHEBI:26517
id: CHEBI:36141
has related synonym: Chinon
IAO_0000115: Compounds having a fully conjugated cyclic dione structure, such as that of benzoquinones, derived from aromatic compounds by conversion of an even number of -CH= groups into -C(=O)- groups with any necessary rearrangement of double bonds (polycyclic and heterocyclic analogues are included).
has db xref: Wikipedia:Quinone
has OBO namespace: chebi_ontology
has exact synonym: quinone
has exact synonym: quinones
has related synonym: quinones
in subset: 3 STAR

oxo dicarboxylic acid
type: Class
subclass of: oxo carboxylic acid
subclass of: dicarboxylic acid
IAO_0000115: Any dicarboxylic acid carrying one or more oxo groups.
id: CHEBI:36145
has OBO namespace: chebi_ontology
has related synonym: oxo dicarboxylic acids
in subset: 3 STAR

oxo dicarboxylate
type: Class
subclass of: dicarboxylic acid dianion
id: CHEBI:36147
has OBO namespace: chebi_ontology
has related synonym: oxo dicarboxylates
has related synonym: oxo-dicarboxylic acid dianion
has related synonym: oxo-dicarboxylic acid dianions
in subset: 3 STAR

2-hydroxyglutarate(1-)
type: Class
subclass of: 2-hydroxyglutarate
subclass of: dicarboxylic acid monoanion
charge: -1
monoisotopicmass: 147.029
mass: 147.10610
IAO_0000115: A dicarboxylic acid monoanion resulting from the removal of a proton from one of the carboxylic acid groups of 2-hydroxyglutaric acid.
formula: C5H7O5
id: CHEBI:36149
inchikey: HWXBTNAVRSUOJR-UHFFFAOYSA-M
inchi: InChI=1S/C5H8O5/c6-3(5(9)10)1-2-4(7)8/h3,6H,1-2H2,(H,7,8)(H,9,10)/p-1
smiles: [H+].OC(CCC([O-])=O)C([O-])=O
has OBO namespace: chebi_ontology
has exact synonym: hydrogen 2-hydroxypentanedioate
in subset: 3 STAR

disaccharide
type: Class
subclass of: oligosaccharide
IAO_0000115: A compound in which two monosaccharides are joined by a glycosidic bond.
has alternative id: CHEBI:23844
id: CHEBI:36233
has alternative id: CHEBI:4654
has related synonym: Disaccharid
has exact synonym: Disaccharide
has related synonym: Disacharid
has db xref: KEGG:C01911
has OBO namespace: chebi_ontology
has related synonym: disacarido
has related synonym: disacaridos
has exact synonym: disaccharides
in subset: 3 STAR

cholanic acid
type: Class
subclass of: cholanic acids
charge: 0
monoisotopicmass: 360.303
mass: 360.57320
IAO_0000115: A steroid acid that consists of cholane having a carboxy group in place of the methyl group at position 24.
formula: C24H40O2
has db xref: CAS:25312-65-6
id: CHEBI:36237
inchi: InChI=1S/C24H40O2/c1-16(7-12-22(25)26)19-10-11-20-18-9-8-17-6-4-5-14-23(17,2)21(18)13-15-24(19,20)3/h16-21H,4-15H2,1-3H3,(H,25,26)/t16-,17?,18+,19-,20+,21+,23+,24-/m1/s1
has db xref: Patent:JP2008069152
inchikey: RPKLZQLYODPWTM-KBMWBBLPSA-N
has db xref: Reaxys:13246008
has OBO namespace: chebi_ontology
has exact synonym: cholan-24-oic acid
in subset: 3 STAR

5beta-cholanic acid
type: Class
subclass of: cholanic acid
subclass of: 5beta-cholanic acids
has related synonym: (5beta)-cholan-24-oic acid
has related synonym: (5beta,17beta)-gamma-methylandrostane-17-butanoic acid
charge: 0
monoisotopicmass: 360.303
mass: 360.57320
has exact synonym: 5beta-cholan-24-oic acid
has exact synonym: 5beta-cholanic acid
has related synonym: 5beta-cholanoic acid
has db xref: Beilstein:3214794
formula: C24H40O2
has db xref: CAS:546-18-9
id: CHEBI:36238
inchi: InChI=1S/C24H40O2/c1-16(7-12-22(25)26)19-10-11-20-18-9-8-17-6-4-5-14-23(17,2)21(18)13-15-24(19,20)3/h16-21H,4-15H2,1-3H3,(H,25,26)/t16-,17+,18+,19-,20+,21+,23+,24-/m1/s1
has db xref: LIPID_MAPS_instance:LMST04010441
inchikey: RPKLZQLYODPWTM-LVVAJZGHSA-N
has OBO namespace: chebi_ontology
has related synonym: ursocholanic acid
in subset: 3 STAR

3-(4-hydroxyphenyl)pyruvate
type: Class
subclass of: 2-oxo monocarboxylic acid anion
charge: -1
monoisotopicmass: 179.034
mass: 179.14950
has exact synonym: 3-(4-Hydroxyphenyl)pyruvate
has exact synonym: 3-(4-hydroxyphenyl)-2-oxopropanoate
has exact synonym: 3-(4-hydroxyphenyl)pyruvate
has related synonym: 3-(p-hydroxyphenyl)pyruvate
has related synonym: 4-Hydroxyphenylpyruvate
IAO_0000115: A 2-oxo monocarboxylic acid anion obtained by removal of a proton from the carboxylic acid group of 3-(4-hydroxyphenyl)pyruvic acid.
has db xref: Beilstein:3950858
formula: C9H7O4
has alternative id: CHEBI:11725
has alternative id: CHEBI:11727
has alternative id: CHEBI:12016
has alternative id: CHEBI:20425
id: CHEBI:36242
has alternative id: CHEBI:594665
has related synonym: HPP
inchi: InChI=1S/C9H8O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,10H,5H2,(H,12,13)/p-1
has db xref: KEGG:C01179
inchikey: KKADPXVIOXHVKN-UHFFFAOYSA-M
smiles: Oc1ccc(CC(=O)C([O-])=O)cc1
has db xref: PMID:11948155
has db xref: PMID:14593448
has db xref: Reaxys:3950858
has db xref: UM-BBD_compID:c0235
has OBO namespace: chebi_ontology
has related synonym: p-hydroxyphenylpyruvate
in subset: 3 STAR

5beta-cholanic acids
type: Class
subclass of: 5beta steroid
subclass of: cholanic acids
id: CHEBI:36248
IAO_0000115: Members of the class of cholanic acids based on a 5beta-cholane skeleton.
has OBO namespace: chebi_ontology
in subset: 3 STAR

bile acid salt
type: Class
subclass of: organic salt
subclass of: cholanoid
IAO_0000115: A salt of a bile acid.
id: CHEBI:36277
has related synonym: bile acid salts
has OBO namespace: chebi_ontology
in subset: 3 STAR

cholanic acids
type: Class
subclass of: cholanoid
subclass of: steroid acid
has alternative id: CHEBI:23166
has alternative id: CHEBI:23211
id: CHEBI:36278
has OBO namespace: chebi_ontology
in subset: 1 STAR

tricarboxylic acid monoanion
type: Class
subclass of: tricarboxylic acid anion
id: CHEBI:36299
has OBO namespace: chebi_ontology
has related synonym: tricarboxylic acid monoanions
in subset: 3 STAR

tricarboxylic acid dianion
type: Class
subclass of: tricarboxylic acid anion
id: CHEBI:36300
has OBO namespace: chebi_ontology
has related synonym: tricarboxylic acid dianions
in subset: 3 STAR

cyclic tetrapyrrole
type: Class
subclass of: tetrapyrrole
subclass of: cyclic polypyrrole
id: CHEBI:36309
has OBO namespace: chebi_ontology
has related synonym: cyclic tetrapyrroles
has related synonym: macrocyclic tetrapyrrole
has exact synonym: macrocyclic tetrapyrroles
in subset: 3 STAR

lepton
type: Class
subclass of: fundamental particle
subclass of: fermion
id: CHEBI:36338
IAO_0000115: Lepton is a fermion that does not experience the strong force (strong interaction). The term is derived from the Greek lambdaepsilonpitauomicronsigma (small, thin).
has OBO namespace: chebi_ontology
has related synonym: leptons
in subset: 3 STAR

baryon
type: Class
subclass of: fermion
subclass of: hadron
IAO_0000115: Baryon is a fermion that does experience the strong force (strong interaction). The term is derived from the Greek betaalpharhoupsilonsigma (heavy).
id: CHEBI:36339
has related synonym: baryons
has OBO namespace: chebi_ontology
in subset: 3 STAR

fermion
type: Class
subclass of: subatomic particle
id: CHEBI:36340
IAO_0000115: Particle of half-integer spin quantum number following Fermi-Dirac statistics. Fermions are named after Enrico Fermi.
has OBO namespace: chebi_ontology
has exact synonym: fermion
has related synonym: fermions
in subset: 3 STAR

subatomic particle
type: Class
IAO_0000115: A particle smaller than an atom.
id: CHEBI:36342
has OBO namespace: chebi_ontology
has related synonym: subatomic particles
in subset: 3 STAR

composite particle
type: Class
subclass of: subatomic particle
IAO_0000115: A subatomic particle known to have substructure (i.e. consisting of smaller particles).
id: CHEBI:36343
has OBO namespace: chebi_ontology
has related synonym: composite particles
in subset: 3 STAR

hadron
type: Class
subclass of: composite particle
id: CHEBI:36344
IAO_0000115: Hadron is a subatomic particle which experiences the strong force.
has OBO namespace: chebi_ontology
has related synonym: hadrons
in subset: 3 STAR

nuclear particle
type: Class
subclass of: subatomic particle
IAO_0000115: A nucleus or any of its constituents in any of their energy states.
id: CHEBI:36347
has OBO namespace: chebi_ontology
has exact synonym: nuclear particle
in subset: 3 STAR

polyatomic entity
type: Class
subclass of: molecular entity
subclass of: Restriction
  on property: has part
  some values from: group
IAO_0000115: Any molecular entity consisting of more than one atom.
id: CHEBI:36357
has OBO namespace: chebi_ontology
has related synonym: polyatomic entities
in subset: 3 STAR

polyatomic ion
type: Class
subclass of: ion
subclass of: polyatomic entity
IAO_0000115: An ion consisting of more than one atom.
id: CHEBI:36358
has OBO namespace: chebi_ontology
has related synonym: polyatomic ions
in subset: 3 STAR

phosphorus oxoacid derivative
type: Class
subclass of: oxoacid derivative
subclass of: phosphorus oxoacids and derivatives
id: CHEBI:36359
has OBO namespace: chebi_ontology
has exact synonym: phosphorus oxoacid derivative
in subset: 3 STAR

phosphorus oxoacids and derivatives
type: Class
subclass of: phosphorus molecular entity
id: CHEBI:36360
has OBO namespace: chebi_ontology
in subset: 1 STAR

alkaline earth salt
type: Class
subclass of: salt
subclass of: alkaline earth molecular entity
id: CHEBI:36364
has related synonym: alkaline earth salts
has OBO namespace: chebi_ontology
in subset: 3 STAR

emetan
type: Class
subclass of: isoquinoline alkaloid
subclass of: isoquinolines
subclass of: isoquinoline alkaloid fundamental parent
charge: 0
monoisotopicmass: 360.257
mass: 360.53506
formula: C25H32N2
id: CHEBI:36380
inchi: InChI=1S/C25H32N2/c1-2-18-17-27-14-12-20-8-4-6-10-23(20)25(27)16-21(18)15-24-22-9-5-3-7-19(22)11-13-26-24/h3-10,18,21,24-26H,2,11-17H2,1H3/t18-,21-,24+,25-/m0/s1
inchikey: KSQYVPHTTWSOHG-CKBKHPSWSA-N
has OBO namespace: chebi_ontology
has exact synonym: emetan
in subset: 3 STAR

mancude organic heterotricyclic parent
type: Class
subclass of: organic heterotricyclic compound
subclass of: mancude organic heterocyclic parent
id: CHEBI:36416
has OBO namespace: chebi_ontology
has related synonym: mancude organic heterotricyclic parents
has related synonym: mancude-ring organic heterotricyclic parents
in subset: 3 STAR

sulfoglycosphingolipid
type: Class
subclass of: sulfoglycolipid
subclass of: acidic glycosphingolipid
id: CHEBI:36477
has OBO namespace: chebi_ontology
has related synonym: sulfoglycosphingolipids
in subset: 3 STAR

galactosylceramide
type: Class
subclass of: cerebroside
subclass of: galactolipid
subclass of: glycosylceramide
charge: 0
monoisotopicmass: 279.095
mass: 279.244
IAO_0000115: Any of the cerebrosides in which the monosaccharide head group is galactose.
formula: C10H17NO8R2
has alternative id: CHEBI:13641
id: CHEBI:36498
has related synonym: Cerebroside
has related synonym: D-Galactosyl-N-acylsphingosine
has related synonym: D-Galactosylceramide
has related synonym: Galactocerebroside
has db xref: KEGG:C02686
has db xref: KEGG:G11121
has db xref: PMID:16758576
has db xref: PMID:2088646
has db xref: PMID:23065187
has db xref: PMID:23446636
has db xref: PMID:23650721
has db xref: PMID:25947378
has db xref: PMID:26058499
has db xref: PMID:26907993
has db xref: PMID:27786470
has related synonym: a D-galactosylceramide
has OBO namespace: chebi_ontology
has related synonym: galactocerebroside
has related synonym: galactocerebrosides
has related synonym: galactosylceramides
in subset: 3 STAR

acidic glycosphingolipid
type: Class
subclass of: glycosphingolipid
has alternative id: CHEBI:22208
has alternative id: CHEBI:2428
id: CHEBI:36526
has OBO namespace: chebi_ontology
in subset: 1 STAR

carbonyl compound
type: Class
subclass of: organic oxo compound
subclass of: organooxygen compound
subclass of: Restriction
  on property: has part
  some values from: carbonyl group
IAO_0000115: Any compound containing the carbonyl group, C=O. The term is commonly used in the restricted sense of aldehydes and ketones, although it actually includes carboxylic acids and derivatives.
id: CHEBI:36586
has exact synonym: carbonyl compounds
has OBO namespace: chebi_ontology
in subset: 3 STAR

organic oxo compound
type: Class
subclass of: organic molecule
subclass of: Restriction
  on property: has part
  some values from: oxo group
id: CHEBI:36587
IAO_0000115: Organic compounds containing an oxygen atom, =O, doubly bonded to carbon or another element.
has OBO namespace: chebi_ontology
has related synonym: organic oxo compounds
has exact synonym: oxo compounds
in subset: 3 STAR

acid anhydride
type: Class
subclass of: organic molecular entity
id: CHEBI:36606
IAO_0000115: Compounds consisting of two acyl groups bonded to the same oxygen atom acyl-O-acyl.
has exact synonym: acid anhydride
has related synonym: acid anhydrides
has exact synonym: acid anhydrides
has related synonym: anhydride d'acide
has OBO namespace: chebi_ontology
in subset: 3 STAR

acyclic acid anhydride
type: Class
subclass of: acid anhydride
id: CHEBI:36608
has exact synonym: acyclic acid anhydride
has exact synonym: acyclic acid anhydrides
has related synonym: acyclic acid anhydrides
has related synonym: acyclic anhydrides
has OBO namespace: chebi_ontology
in subset: 3 STAR

organochlorine compound
type: Class
subclass of: chlorine molecular entity
subclass of: organohalogen compound
IAO_0000115: An organochlorine compound is a compound containing at least one carbon-chlorine bond.
id: CHEBI:36683
has db xref: Wikipedia:Organochloride
has OBO namespace: chebi_ontology
has related synonym: chloroorganic compounds
has related synonym: chlororganische Verbindungen
has related synonym: organochloride compound
has related synonym: organochloride compounds
has exact synonym: organochlorine compound
has related synonym: organochlorine compounds
in subset: 3 STAR

organohalogen compound
type: Class
subclass of: heteroorganic entity
subclass of: halide
IAO_0000115: A compound containing at least one carbon-halogen bond.
id: CHEBI:36684
has OBO namespace: chebi_ontology
has related synonym: organohalogen compounds
in subset: 3 STAR

heterotricyclic compound
type: Class
subclass of: heteropolycyclic compound
id: CHEBI:36688
has OBO namespace: chebi_ontology
has exact synonym: heterotricyclic compound
has related synonym: heterotricyclic compounds
has exact synonym: heterotricyclic compounds
in subset: 3 STAR

corticosteroid hormone
type: Class
subclass of: steroid hormone
subclass of: corticosteroid
IAO_0000115: Any of a class of steroid hormones that are produced in the adrenal cortex.
id: CHEBI:36699
has related synonym: adrenal cortex hormones
has OBO namespace: chebi_ontology
has related synonym: corticosteroid hormones
in subset: 3 STAR

phosphocholines
type: Class
subclass of: choline ester
subclass of: cholines
subclass of: organic phosphate
subclass of: phosphoric ester
IAO_0000115: Any compound having phosphocholine as part of its structure.
id: CHEBI:36700
has related synonym: O-phosphocholines
has OBO namespace: chebi_ontology
has related synonym: choline phosphates
has related synonym: phosphorylcholines
in subset: 3 STAR

phosphoethanolamine
type: Class
subclass of: organic phosphate
subclass of: phosphoric ester
id: CHEBI:36711
has OBO namespace: chebi_ontology
has related synonym: phosphoethanolamines
in subset: 3 STAR

biladienes
type: Class
subclass of: linear tetrapyrrole
id: CHEBI:36735
IAO_0000115: Compounds based on a biladiene skeleton.
has OBO namespace: chebi_ontology
in subset: 3 STAR

(trifluoromethyl)benzene
type: Class
subclass of: fluorohydrocarbon
subclass of: (trifluoromethyl)benzenes
has exact synonym: (trifluoromethyl)benzene
charge: 0
monoisotopicmass: 146.034
mass: 146.10980
IAO_0000115: A fluorohydrocarbon that is fluoroform in which the hydrogen is substituted by a phenyl group.
has db xref: Beilstein:1906908
has related synonym: C6H5CF3
formula: C7H5F3
has db xref: CAS:98-08-8
has related synonym: CF3Ph
id: CHEBI:36810
smiles: FC(F)(F)c1ccccc1
inchikey: GETTZEONDQJALK-UHFFFAOYSA-N
has db xref: Gmelin:3670
inchi: InChI=1S/C7H5F3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H
has db xref: PMID:11671431
has db xref: PMID:20958547
has db xref: PMID:24267073
has db xref: PMID:24669762
has related synonym: PhCF3
has db xref: Reaxys:1906908
has related synonym: alpha,alpha,alpha-trifluorotoluene
has related synonym: benzotrifluoride
has OBO namespace: chebi_ontology
has related synonym: omega-trifluorotoluene
has related synonym: phenylfluoroform
has related synonym: trifluoromethylbenzene
in subset: 3 STAR

seco-cholestane
type: Class
subclass of: seco-steroid
id: CHEBI:36818
has OBO namespace: chebi_ontology
has related synonym: seco-cholestanes
in subset: 3 STAR

ring assembly
type: Class
subclass of: cyclic compound
id: CHEBI:36820
IAO_0000115: Two or more cyclic systems (single rings or fused systems) which are directly joined to each other by double or single bonds are named ring assemblies when the number of such direct ring junctions is one less than the number of cyclic systems involved.
has OBO namespace: chebi_ontology
has exact synonym: ring assemblies
has exact synonym: ring assembly
in subset: 3 STAR

pseudohalide anion
type: Class
subclass of: polyatomic monoanion
id: CHEBI:36828
has OBO namespace: chebi_ontology
has related synonym: pseudohalide anions
has exact synonym: pseudohalide ions
has related synonym: pseudohalides
has related synonym: pseudohalogen anion
has related synonym: pseudohalogen ion
in subset: 3 STAR

polyatomic monoanion
type: Class
subclass of: polyatomic anion
subclass of: monoanion
id: CHEBI:36829
has OBO namespace: chebi_ontology
has related synonym: polyatomic monoanions
in subset: 3 STAR

monoanion
type: Class
subclass of: anion
charge: -1
id: CHEBI:36830
has OBO namespace: chebi_ontology
has related synonym: monoanions
in subset: 3 STAR

3-hydroxy steroid
type: Class
subclass of: hydroxy steroid
has related synonym: 3-hydroxy steroids
IAO_0000115: Any hydroxy steroid carrying a hydroxy group at position 3.
id: CHEBI:36834
has OBO namespace: chebi_ontology
in subset: 3 STAR

3beta-hydroxy steroid
type: Class
subclass of: secondary alcohol
subclass of: 3-hydroxy steroid
charge: 0
monoisotopicmass: 275.237
mass: 275.450
has related synonym: 3beta-hydroxy steroids
IAO_0000115: A 3-hydroxy steroid in which the 3-hydroxy substituent is in the beta-position.
formula: C19H31OR
id: CHEBI:36836
has alternative id: CHEBI:71195
has db xref: KEGG:C02945
has db xref: MetaCyc:3-Beta-Hydroxysterols
has db xref: PMID:10535978
has db xref: PMID:12829805
has related synonym: a 3beta-hydroxysteroid
has OBO namespace: chebi_ontology
in subset: 3 STAR

17-hydroxy steroid
type: Class
subclass of: hydroxy steroid
has related synonym: 17-hydroxy steroids
IAO_0000115: A hydroxy steroid carrying a hydroxy group at position 17.
id: CHEBI:36838
has OBO namespace: chebi_ontology
in subset: 3 STAR

11-hydroxy steroid
type: Class
subclass of: hydroxy steroid
has related synonym: 11-hydroxy steroids
id: CHEBI:36841
has OBO namespace: chebi_ontology
in subset: 3 STAR

hydroxy seco-steroid
type: Class
subclass of: hydroxy steroid
subclass of: seco-steroid
id: CHEBI:36853
has OBO namespace: chebi_ontology
has related synonym: hydroxy seco-steroids
in subset: 3 STAR

20-oxo steroid
type: Class
subclass of: oxo steroid
has related synonym: 20-oxo steroids
IAO_0000115: An oxo steroid carrying an oxo group at position 20.
id: CHEBI:36885
has OBO namespace: chebi_ontology
in subset: 3 STAR

18-oxo steroid
type: Class
subclass of: oxo steroid
has related synonym: 18-oxo steroids
id: CHEBI:36887
has OBO namespace: chebi_ontology
in subset: 3 STAR

elemental iodine
type: Class
subclass of: elemental halogen
id: CHEBI:36893
has OBO namespace: chebi_ontology
in subset: 3 STAR

elemental bromine
type: Class
subclass of: elemental halogen
id: CHEBI:36894
has OBO namespace: chebi_ontology
in subset: 3 STAR

monoatomic bromine
type: Class
subclass of: elemental bromine
formula: Br
id: CHEBI:36896
has related synonym: atomic bromine
has OBO namespace: chebi_ontology
in subset: 3 STAR

monoatomic iodine
type: Class
subclass of: elemental iodine
id: CHEBI:36897
formula: I
has related synonym: atomic iodine
has OBO namespace: chebi_ontology
in subset: 3 STAR

chalcogen hydride
type: Class
subclass of: inorganic hydride
subclass of: chalcogen molecular entity
id: CHEBI:36902
has exact synonym: chalcogen hydride
has related synonym: chalcogen hydrides
has OBO namespace: chebi_ontology
in subset: 3 STAR

inorganic ion
type: Class
subclass of: inorganic molecular entity
subclass of: ion
id: CHEBI:36914
has OBO namespace: chebi_ontology
has related synonym: inorganic ions
in subset: 3 STAR

inorganic cation
type: Class
subclass of: inorganic ion
subclass of: cation
id: CHEBI:36915
has OBO namespace: chebi_ontology
has related synonym: inorganic cations
in subset: 3 STAR

cation
type: Class
subclass of: ion
IAO_0000115: A monoatomic or polyatomic species having one or more elementary charges of the proton.
has alternative id: CHEBI:23058
has alternative id: CHEBI:3473
id: CHEBI:36916
has exact synonym: Cation
has db xref: KEGG:C01373
has related synonym: Kation
has related synonym: Kationen
has exact synonym: cation
has related synonym: cationes
has related synonym: cations
has OBO namespace: chebi_ontology
in subset: 3 STAR

chalcocarbonic acid
type: Class
subclass of: organochalcogen compound
id: CHEBI:36961
has exact synonym: chalcocarbonic acid
has exact synonym: chalcocarbonic acids
has related synonym: chalcocarbonic acids
has OBO namespace: chebi_ontology
in subset: 3 STAR

organochalcogen compound
type: Class
subclass of: heteroorganic entity
subclass of: chalcogen molecular entity
IAO_0000115: An organochalcogen compound is a compound containing at least one carbon-chalcogen bond.
id: CHEBI:36962
has OBO namespace: chebi_ontology
has exact synonym: organochalcogen compound
has related synonym: organochalcogen compounds
in subset: 3 STAR

organooxygen compound
type: Class
subclass of: oxygen molecular entity
subclass of: organochalcogen compound
IAO_0000115: An organochalcogen compound containing at least one carbon-oxygen bond.
id: CHEBI:36963
has db xref: PMID:17586126
has OBO namespace: chebi_ontology
has exact synonym: organooxygen compound
has related synonym: organooxygen compounds
in subset: 3 STAR

nucleotide
type: Class
subclass of: nucleoside phosphate
IAO_0000115: A nucleotide is a nucleoside phosphate resulting from the condensation of the 3 or 5 hydroxy group of a nucleoside with phosphoric acid.
has alternative id: CHEBI:13215
has alternative id: CHEBI:13663
id: CHEBI:36976
has alternative id: CHEBI:7656
has db xref: KEGG:C00215
has exact synonym: Nucleotide
has related synonym: a nucleotide
has OBO namespace: chebi_ontology
has related synonym: nucleotides
in subset: 3 STAR

cyclic purine nucleotide
type: Class
subclass of: cyclic nucleotide
subclass of: purine nucleotide
id: CHEBI:36982
has OBO namespace: chebi_ontology
has related synonym: cyclic purine nucleotides
in subset: 3 STAR

ribonucleoside 5'-monophosphate
type: Class
subclass of: ribonucleoside monophosphate
subclass of: ribonucleoside 5'-phosphate
has alternative id: CHEBI:1976
has alternative id: CHEBI:1977
has alternative id: CHEBI:20500
has alternative id: CHEBI:36996
id: CHEBI:37010
has OBO namespace: chebi_ontology
has related synonym: ribonucleoside 5'-monophosphates
in subset: 3 STAR

ribonucleoside 5'-phosphate
type: Class
subclass of: nucleoside 5'-phosphate
subclass of: ribonucleotide
id: CHEBI:37015
has OBO namespace: chebi_ontology
has related synonym: ribonucleoside 5'-phosphates
in subset: 3 STAR

purine ribonucleoside 5'-monophosphate
type: Class
subclass of: purine ribonucleoside monophosphate
subclass of: purine ribonucleotide
subclass of: ribonucleoside 5'-monophosphate
id: CHEBI:37021
has OBO namespace: chebi_ontology
has related synonym: purine ribonucleoside 5'-monophosphates
in subset: 3 STAR

amino-acid anion
type: Class
subclass of: carboxylic acid anion
subclass of: organonitrogen compound
id: CHEBI:37022
has related synonym: amino acid anions
has exact synonym: amino-acid anion
has related synonym: amino-acid anions
has OBO namespace: chebi_ontology
in subset: 3 STAR

purine ribonucleoside 5'-diphosphate
type: Class
subclass of: purine ribonucleoside diphosphate
subclass of: purine ribonucleotide
subclass of: ribonucleoside 5'-diphosphate
id: CHEBI:37038
has OBO namespace: chebi_ontology
has related synonym: purine ribonucleoside 5'-diphosphates
in subset: 3 STAR

purine ribonucleoside 5'-triphosphate
type: Class
subclass of: purine ribonucleoside triphosphate
subclass of: purine ribonucleotide
subclass of: ribonucleoside 5'-triphosphate
id: CHEBI:37045
has OBO namespace: chebi_ontology
has related synonym: purine ribonucleoside 5'-triphosphates
in subset: 3 STAR

3-hydroxybutyrate
type: Class
subclass of: 3-hydroxy fatty acid anion
charge: -1
monoisotopicmass: 103.040
mass: 103.09658
has related synonym: 3-OH butyrate
has related synonym: 3-OH-butyrate
has exact synonym: 3-hydroxybutanoate
IAO_0000115: A hydroxy fatty acid anion that is the conjugate base of 3-hydroxybutyric acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
has db xref: Beilstein:4127635
formula: C4H7O3
smiles: CC(O)CC([O-])=O
id: CHEBI:37054
has related synonym: DL-3-hydroxybutyrate
inchi: InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)/p-1
has db xref: Reaxys:4127635
inchikey: WHBMMWSBFZVSSR-UHFFFAOYSA-M
has related synonym: beta-hydroxy-n-butyrate
has related synonym: beta-hydroxybutanoate
has OBO namespace: chebi_ontology
in subset: 3 STAR

ribonucleoside 5'-diphosphate
type: Class
subclass of: ribonucleoside 5'-phosphate
id: CHEBI:37075
has OBO namespace: chebi_ontology
has related synonym: ribonucleoside 5'-diphosphates
in subset: 3 STAR

ribonucleoside 5'-triphosphate
type: Class
subclass of: ribonucleoside 5'-phosphate
id: CHEBI:37076
has OBO namespace: chebi_ontology
has related synonym: ribonucleoside 5'-triphosphates
in subset: 3 STAR

adenosine 5'-phosphate
type: Class
subclass of: adenosine phosphate
subclass of: purine ribonucleoside 5'-monophosphate
id: CHEBI:37096
has related synonym: adenosine 5'-phosphates
has OBO namespace: chebi_ontology
in subset: 3 STAR

organobromine compound
type: Class
subclass of: bromine molecular entity
subclass of: organohalogen compound
IAO_0000115: A compound containing at least one carbon-bromine bond.
id: CHEBI:37141
has related synonym: bromoorganic compound
has OBO namespace: chebi_ontology
has related synonym: organobromine compounds
in subset: 3 STAR

organoiodine compound
type: Class
subclass of: iodine molecular entity
subclass of: organohalogen compound
IAO_0000115: An organoiodine compound is a compound containing at least one carbon-iodine bond.
id: CHEBI:37142
has OBO namespace: chebi_ontology
has exact synonym: organoiodine compound
has related synonym: organoiodine compounds
in subset: 3 STAR

organofluorine compound
type: Class
subclass of: fluorine molecular entity
subclass of: organohalogen compound
IAO_0000115: An organofluorine compound is a compound containing at least one carbon-fluorine bond.
id: CHEBI:37143
has OBO namespace: chebi_ontology
has related synonym: fluoroorganic compound
has related synonym: fluoroorganic compounds
has related synonym: fluoroorganics
has related synonym: fluororganische Verbindungen
has exact synonym: organofluorine compound
has related synonym: organofluorine compounds
in subset: 3 STAR

glucan
type: Class
subclass of: homopolysaccharide
IAO_0000115: A polysaccharide composed of glucose residues.
formula: C12H22O11(C6H10O5)n
has db xref: CAS:9037-91-6
has alternative id: CHEBI:24255
id: CHEBI:37163
has alternative id: CHEBI:5392
has exact synonym: Glucan
has db xref: KEGG:C01379
has OBO namespace: chebi_ontology
has exact synonym: glucan
has related synonym: glucans
in subset: 3 STAR

homopolysaccharide
type: Class
subclass of: polysaccharide
id: CHEBI:37164
IAO_0000115: Glycans composed of a single type of monosaccharide residue. They are named by replacing the ending '-ose' of the sugar by '-an'.
has OBO namespace: chebi_ontology
has related synonym: homoglycan
has exact synonym: homopolysaccharide
has related synonym: homopolysaccharides
in subset: 3 STAR

organic hydride
type: Class
subclass of: hydrides
id: CHEBI:37175
has OBO namespace: chebi_ontology
has related synonym: organic hydrides
in subset: 3 STAR

mononuclear parent hydride
type: Class
subclass of: hydrides
id: CHEBI:37176
has OBO namespace: chebi_ontology
has related synonym: mononuclear hydride
has related synonym: mononuclear hydrides
has exact synonym: mononuclear parent hydrides
in subset: 3 STAR

elemental sodium
type: Class
subclass of: sodium molecular entity
id: CHEBI:37246
has OBO namespace: chebi_ontology
in subset: 3 STAR

elemental potassium
type: Class
subclass of: potassium molecular entity
id: CHEBI:37247
has OBO namespace: chebi_ontology
in subset: 3 STAR

elemental zinc
type: Class
subclass of: zinc molecular entity
id: CHEBI:37253
has OBO namespace: chebi_ontology
in subset: 3 STAR

phytanate
type: Class
subclass of: long-chain fatty acid anion
subclass of: branched-chain saturated fatty acid anion
subclass of: 3-methyl fatty acid anion
charge: -1
has exact synonym: 3,7,11,15-tetramethylhexadecanoate
has related synonym: 3,7,11,15-tetramethylhexadecanoate
has related synonym: 3,7,11,15-tetramethylpalmitate
monoisotopicmass: 311.295
mass: 311.52246
IAO_0000115: A branched-chain saturated fatty acid anion that is the conjugate base of phytanic acid, arising from deprotonation of the carboxylic acid group.
has db xref: Beilstein:3669982
formula: C20H39O2
smiles: CC(C)CCCC(C)CCCC(C)CCCC(C)CC([O-])=O
has alternative id: CHEBI:14834
has alternative id: CHEBI:26109
id: CHEBI:37257
inchi: InChI=1S/C20H40O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h16-19H,6-15H2,1-5H3,(H,21,22)/p-1
has db xref: KEGG:C01607
has db xref: PMID:5130448
inchikey: RLCKHJSFHOZMDR-UHFFFAOYSA-M
has db xref: Reaxys:3669982
has OBO namespace: chebi_ontology
has related synonym: phytanate anion
in subset: 3 STAR

mucopolysaccharide
type: Class
subclass of: glycosaminoglycan
IAO_0000115: Any of the group of polysaccharides composed of alternating units from uronic acids and glycosamines, and commonly partially esterified with sulfuric acid.
has alternative id: CHEBI:25425
id: CHEBI:37395
has alternative id: CHEBI:7011
has db xref: KEGG:C05114
has related synonym: Mucopolysaccharid
has exact synonym: Mucopolysaccharide
has related synonym: Mukopolysaccharid
has OBO namespace: chebi_ontology
has related synonym: mucopolisacarido
has related synonym: mucopolisacaridos
has exact synonym: mucopolysaccharides
in subset: 3 STAR

chondroitin sulfate
type: Class
subclass of: sulfated glycosaminoglycan
subclass of: mucopolysaccharide
IAO_0000115: Any of a class of 10--60 kDa glycosaminoglycan sulfates, widely distributed in cartilage and other mammalian connective tissues.
has db xref: CAS:9007-28-7
has alternative id: CHEBI:23224
has alternative id: CHEBI:3676
id: CHEBI:37397
has exact synonym: Chondroitin sulfate
has related synonym: Chondroitinsulfat
has db xref: KEGG:C00607
has db xref: PMID:11514091
has db xref: PMID:7538297
has OBO namespace: chebi_ontology
has related synonym: chondroitin polysulfate
has related synonym: chondroitin sulfates
has related synonym: chondroitin sulfuric acid
has related synonym: chondroitin sulphate
in subset: 3 STAR

elemental copper
type: Class
subclass of: copper molecular entity
id: CHEBI:37404
has OBO namespace: chebi_ontology
in subset: 3 STAR

alpha-amanitin
type: Class
subclass of: heterodetic cyclic peptide
charge: 0
has exact synonym: 1,8-anhydro-S(1),C(2.5)-cyclo[L-cysteinyl-L-asparaginyl-trans-4-hydroxy-L-prolyl-(R)-4,5-dihydroxy-L-isoleucyl-6-hydroxy-L-tryptophylglycyl-L-isoleucylglycine] (R)-S(1)-oxide
monoisotopicmass: 918.354
mass: 918.97106
IAO_0000115: A heterodetic cyclic peptide consisting of eight amino acid residues and containing a thioether bridge between a cysteine and a tryptophan residue. It is found in a number of poisonous mushrooms, including Amanita phalloides (the death cap), Galerina marginata, and and Conocybe filaris.
has db xref: Beilstein:1071138
formula: C39H54N10O14S
has db xref: CAS:23109-05-9
has alternative id: CHEBI:10207
has alternative id: CHEBI:37414
id: CHEBI:37415
inchikey: CIORWBWIBBPXCG-SXZCQOKQSA-N
has db xref: KEGG:C08438
has db xref: KNApSAcK:C00001516
has db xref: PMID:109306
has db xref: PMID:17525082
has db xref: PMID:19556115
has db xref: PMID:20529816
has db xref: PMID:23763309
has db xref: PMID:6208374
has db xref: PMID:6630208
has db xref: PMID:9093889
has db xref: Reaxys:1071138
has db xref: Wikipedia:Alpha-amanitin
has exact synonym: alpha-Amanitin
has related synonym: alpha-Amanitine
has related synonym: alpha-Amatoxin
has OBO namespace: chebi_ontology
in subset: 3 STAR

EC 2.7.7.6 (RNA polymerase) inhibitor
type: Class
subclass of: EC 2.7.7.* (nucleotidyltransferase) inhibitor
IAO_0000115: An EC 2.7.7.* (nucleotidyltransferase) inhibitor that interferes with the action of RNA polymerase (EC 2.7.7.6).
has related synonym: C RNA formation factors inhibitor
has related synonym: C RNA formation factors inhibitors
has related synonym: C ribonucleic acid formation factors inhibitor
has related synonym: C ribonucleic acid formation factors inhibitors
id: CHEBI:37416
has related synonym: DNA-dependent RNA nucleotidyltransferase inhibitor
has related synonym: DNA-dependent RNA nucleotidyltransferase inhibitors
has related synonym: DNA-dependent RNA polymerase inhibitor
has related synonym: DNA-dependent RNA polymerase inhibitors
has related synonym: DNA-dependent ribonucleate nucleotidyltransferase inhibitor
has related synonym: DNA-dependent ribonucleate nucleotidyltransferase inhibitors
has related synonym: DNA-directed RNA polymerase inhibitor
has related synonym: DNA-directed RNA polymerase inhibitors
has related synonym: DNA-directed nucleoside-triphosphate:RNA nucleotidyltransferase inhibitor
has related synonym: DNA-directed nucleoside-triphosphate:RNA nucleotidyltransferase inhibitors
has related synonym: EC 2.7.7.6 (RNA polymerase) inhibitors
has related synonym: EC 2.7.7.6 inhibitor
has related synonym: EC 2.7.7.6 inhibitors
has related synonym: RNA nucleotidyltransferase (DNA-directed) inhibitor
has related synonym: RNA nucleotidyltransferase (DNA-directed) inhibitors
has related synonym: RNA nucleotidyltransferase inhibitor
has related synonym: RNA nucleotidyltransferase inhibitors
has related synonym: RNA polymerase (EC 2.7.7.6) inhibitor
has related synonym: RNA polymerase (EC 2.7.7.6) inhibitors
has related synonym: RNA polymerase I inhibitor
has related synonym: RNA polymerase I inhibitors
has related synonym: RNA polymerase II inhibitor
has related synonym: RNA polymerase II inhibitors
has related synonym: RNA polymerase III inhibitor
has related synonym: RNA polymerase III inhibitors
has related synonym: RNA polymerase inhibitor
has related synonym: RNA polymerase inhibitors
has related synonym: RNA transcriptase inhibitor
has related synonym: RNA transcriptase inhibitors
has db xref: Wikipedia:RNA_polymerase
has OBO namespace: chebi_ontology
has related synonym: deoxyribonucleic acid-dependent ribonucleic acid polymerase inhibitor
has related synonym: deoxyribonucleic acid-dependent ribonucleic acid polymerase inhibitors
has related synonym: directed RNA polymerase inhibitor
has related synonym: nucleoside-triphosphate:RNA nucleotidyltransferase (DNA-directed) inhibitor
has related synonym: nucleoside-triphosphate:RNA nucleotidyltransferase (DNA-directed) inhibitors
has related synonym: ribonucleate nucleotidyltransferase inhibitor
has related synonym: ribonucleate nucleotidyltransferase inhibitors
has related synonym: ribonucleate polymerase inhibitor
has related synonym: ribonucleate polymerase inhibitors
has related synonym: ribonucleic acid nucleotidyltransferase inhibitor
has related synonym: ribonucleic acid nucleotidyltransferase inhibitors
has related synonym: ribonucleic acid polymerase inhibitor
has related synonym: ribonucleic acid polymerase inhibitors
has related synonym: ribonucleic acid transcriptase inhibitor
has related synonym: ribonucleic acid transcriptase inhibitors
has related synonym: ribonucleic polymerase inhibitor
has related synonym: ribonucleic polymerase inhibitors
has related synonym: ribonucleic transcriptase inhibitor
has related synonym: ribonucleic transcriptase inhibitors
has related synonym: transcriptase inhibitor
has related synonym: transcriptase inhibitors
in subset: 3 STAR

folic acids
type: Class
subclass of: pterins
subclass of: L-glutamic acid derivative
IAO_0000115: A group of heterocyclic compounds based on the pteroic acid skeleton conjugated with one or more L-glutamic acid units.
has alternative id: CHEBI:24074
has alternative id: CHEBI:24076
id: CHEBI:37445
has OBO namespace: chebi_ontology
has related synonym: folate
has exact synonym: folates
has related synonym: folates
in subset: 3 STAR

acid
type: Class
subclass of: chemical role
has exact synonym: Acid
IAO_0000115: An acid is a molecular entity capable of donating a hydron (Bronsted acid) or capable of forming a covalent bond with an electron pair (Lewis acid).
has alternative id: CHEBI:13800
has alternative id: CHEBI:13801
has alternative id: CHEBI:22209
has alternative id: CHEBI:2426
id: CHEBI:37527
has db xref: KEGG:C00174
has related synonym: Saeure
has related synonym: Saeuren
has exact synonym: acid
has related synonym: acide
has related synonym: acido
has related synonym: acids
has related synonym: an acid
has OBO namespace: chebi_ontology
in subset: 3 STAR

heteroatomic molecular entity
type: Class
subclass of: polyatomic entity
IAO_0000115: A molecular entity consisting of two or more chemical elements.
id: CHEBI:37577
has OBO namespace: chebi_ontology
has related synonym: chemical compound
has related synonym: heteroatomic molecular entities
in subset: 3 STAR

halide
type: Class
subclass of: halogen molecular entity
subclass of: heteroatomic molecular entity
IAO_0000115: Any heteroatomic molecular entity that is a chemical compound of halogen with other chemical elements.
id: CHEBI:37578
has db xref: Wikipedia:Halide
has OBO namespace: chebi_ontology
has related synonym: halides
in subset: 3 STAR

carboxamide
type: Class
subclass of: primary amide
subclass of: organonitrogen compound
subclass of: organooxygen compound
subclass of: Restriction
  on property: has part
  some values from: carbamoyl group
charge: 0
monoisotopicmass: 41.998
mass: 42.01680
IAO_0000115: An amide of a carboxylic acid, having the structure RC(=O)NR2. The term is used as a suffix in systematic name formation to denote the -C(=O)NH2 group including its carbon atom.
has alternative id: CHEBI:35354
has alternative id: CHEBI:35355
id: CHEBI:37622
formula: CNOR3
smiles: [*]C(=O)N([*])[*]
has exact synonym: carboxamides
has related synonym: carboxamides
has OBO namespace: chebi_ontology
has related synonym: primary carboxamide
in subset: 3 STAR

mannose
type: Class
subclass of: aldohexose
IAO_0000115: An aldohexose that is the C-2 epimer of glucose.
formula: C6H12O6
has alternative id: CHEBI:14575
has alternative id: CHEBI:33930
id: CHEBI:37684
has related synonym: Man
has db xref: PMID:16180318
has db xref: PMID:24407290
has OBO namespace: chebi_ontology
has exact synonym: manno-hexose
has exact synonym: mannose
in subset: 3 STAR

protein kinase inhibitor
type: Class
subclass of: EC 2.7.* (P-containing group transferase) inhibitor
IAO_0000115: An EC 2.7.* (P-containing group transferase) inhibitor that interferes with the action of protein kinases.
id: CHEBI:37699
has OBO namespace: chebi_ontology
has related synonym: protein kinase inhibitors
in subset: 3 STAR

EC 3.1.1.8 (cholinesterase) inhibitor
type: Class
subclass of: EC 3.1.1.* (carboxylic ester hydrolase) inhibitor
IAO_0000115: An EC 3.1.1.* (carboxylic ester hydrolase) inhibitor that interferes with the action of cholinesterase (EC 3.1.1.8).
has related synonym: BChE inhibitor
has related synonym: BChE inhibitors
has related synonym: BtChoEase inhibitor
has related synonym: BtChoEase inhibitors
id: CHEBI:37733
has related synonym: EC 3.1.1.8 (cholinesterase) inhibitors
has related synonym: EC 3.1.1.8 inhibitor
has related synonym: EC 3.1.1.8 inhibitors
has related synonym: anticholineesterase inhibitor
has related synonym: anticholineesterase inhibitors
has related synonym: anticholinesterase
has related synonym: anticholinesterases
has related synonym: benzoylcholinesterase inhibitor
has related synonym: benzoylcholinesterase inhibitors
has related synonym: butyrylcholine esterase inhibitor
has related synonym: butyrylcholine esterase inhibitors
has related synonym: butyrylcholinesterase inhibitor
has related synonym: butyrylcholinesterase inhibitors
has OBO namespace: chebi_ontology
has related synonym: choline esterase II (unspecific) inhibitor
has related synonym: choline esterase II (unspecific) inhibitors
has related synonym: choline esterase inhibitor
has related synonym: choline esterase inhibitors
has related synonym: cholinesterase (EC 3.1.1.8) inhibitor
has related synonym: cholinesterase (EC 3.1.1.8) inhibitors
has related synonym: cholinesterase inhibitor
has related synonym: non-specific cholinesterase inhibitor
has related synonym: non-specific cholinesterase inhibitors
has related synonym: propionylcholinesterase inhibitor
has related synonym: propionylcholinesterase inhibitors
has related synonym: pseudocholinesterase inhibitor
has related synonym: pseudocholinesterase inhibitors
in subset: 3 STAR

phosphoric ester
type: Class
subclass of: phosphoric acid derivative
subclass of: ester
has alternative id: CHEBI:26019
id: CHEBI:37734
has OBO namespace: chebi_ontology
in subset: 1 STAR

acyclic phosphorus acid anhydride
type: Class
subclass of: acyclic acid anhydride
id: CHEBI:37786
has related synonym: acyclic phosphorus acid anhydrides
has OBO namespace: chebi_ontology
in subset: 3 STAR

amino sulfonic acid
type: Class
subclass of: organosulfonic acid
subclass of: organic amino compound
IAO_0000115: An organosulfonic acid containing one or more amino groups.
id: CHEBI:37793
has related synonym: amino sulfonic acids
has related synonym: aminosulfonic acid
has related synonym: aminosulfonic acids
has OBO namespace: chebi_ontology
in subset: 3 STAR

butane
type: Class
subclass of: gas molecular entity
subclass of: alkane
charge: 0
monoisotopicmass: 58.078
mass: 58.12220
IAO_0000115: A straight chain alkane composed of 4 carbon atoms.
has db xref: Beilstein:969129
formula: C4H10
has db xref: CAS:106-97-8
smiles: CCCC
has alternative id: CHEBI:22945
has alternative id: CHEBI:25462
id: CHEBI:37808
has alternative id: CHEBI:44430
has related synonym: E 943a
has related synonym: E-943a
has related synonym: E943a
has db xref: Gmelin:1148
inchikey: IJDNQMDRQITEOD-UHFFFAOYSA-N
inchi: InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3
has related synonym: N-BUTANE
has db xref: PDBeChem:NBU
has db xref: PMID:24179026
has related synonym: R-600
has db xref: Reaxys:969129
has db xref: Wikipedia:Butane
has exact synonym: butane
has OBO namespace: chebi_ontology
has related synonym: n-Butan
has related synonym: n-C4H10
has related synonym: n-butane
in subset: 3 STAR

sulfuric acid derivative
type: Class
subclass of: sulfur oxoacid derivative
id: CHEBI:37826
has OBO namespace: chebi_ontology
has exact synonym: sulfuric acid derivative
has related synonym: sulfuric acid derivatives
in subset: 3 STAR

carboacyl group
type: Class
subclass of: acyl group
IAO_0000115: A carboacyl group is a group formed by loss of at least one OH from the carboxy group of a carboxylic acid.
id: CHEBI:37838
has exact synonym: carboacyl groups
has exact synonym: carboxylic acyl group
has related synonym: carboxylic acyl groups
has OBO namespace: chebi_ontology
in subset: 3 STAR

growth hormone
type: Class
subclass of: hormone
IAO_0000115: A hormone that specifically regulates growth.
has db xref: CAS:9002-72-6
id: CHEBI:37845
has related synonym: GH
has db xref: KEGG:C18181
has related synonym: Somatotropin
has related synonym: Wachstumshormon
has OBO namespace: chebi_ontology
has related synonym: growth hormones
in subset: 3 STAR

plant hormone
type: Class
subclass of: hormone
subclass of: plant growth regulator
IAO_0000115: A plant growth regulator that modulates the formation of stems, leaves and flowers, as well as the development and ripening of fruit. The term includes endogenous and non-endogenous compounds (e.g. active compounds produced by bacteria on the leaf surface) as well as semi-synthetic and fully synthetic compounds.
has alternative id: CHEBI:26158
id: CHEBI:37848
has db xref: Wikipedia:Phytohormone
has OBO namespace: chebi_ontology
has related synonym: phytohormone
has related synonym: phytohormones
has related synonym: plant growth factor
has related synonym: plant growth factors
has related synonym: plant growth hormone
has related synonym: plant growth hormones
has related synonym: plant hormones
in subset: 3 STAR

octanol
type: Class
subclass of: fatty alcohol
IAO_0000115: A fatty alcohol consisting of a hydroxy function at any position of an unbranched saturated chain of eight carbon atoms.
formula: C8H18O
has db xref: CAS:29063-28-3
id: CHEBI:37868
has related synonym: Oktanol
has related synonym: Oktylalkohol
has OBO namespace: chebi_ontology
has related synonym: n-octanol
has exact synonym: octanol
has related synonym: octyl alcohol
in subset: 3 STAR

adrenergic agonist
type: Class
subclass of: adrenergic agent
IAO_0000115: An agent that selectively binds to and activates adrenergic receptors.
id: CHEBI:37886
has related synonym: adrenergic agonists
has related synonym: adrenergic receptor agonist
has related synonym: adrenoceptor agonists
has related synonym: adrenomimetic
has related synonym: adrenomimetics
has OBO namespace: chebi_ontology
in subset: 3 STAR

adrenergic antagonist
type: Class
subclass of: adrenergic agent
IAO_0000115: An agent that binds to but does not activate adrenergic receptors thereby blocking the actions of endogenous or exogenous adrenergic agonists.
id: CHEBI:37887
has related synonym: adrenergic antagonists
has related synonym: adrenergic blockaders
has related synonym: adrenergic blocker
has related synonym: adrenergic blockers
has related synonym: adrenergic receptor blockaders
has related synonym: adrenoceptor antagonists
has OBO namespace: chebi_ontology
in subset: 3 STAR

alpha-adrenergic antagonist
type: Class
subclass of: adrenergic antagonist
subclass of: alpha-adrenergic drug
IAO_0000115: An agent that binds to but does not activate alpha-adrenergic receptors thereby blocking the actions of endogenous or exogenous alpha-adrenergic agonists. alpha-Adrenergic antagonists are used in the treatment of hypertension, vasospasm, peripheral vascular disease, shock, and pheochromocytoma.
id: CHEBI:37890
has related synonym: alpha-adrenergic antagonists
has related synonym: alpha-adrenergic blocker
has related synonym: alpha-adrenergic blockers
has related synonym: alpha-adrenergic receptor blockaders
has related synonym: alpha-adrenoceptor antagonists
has OBO namespace: chebi_ontology
in subset: 3 STAR

H1-receptor antagonist
type: Class
subclass of: histamine antagonist
id: CHEBI:37955
has related synonym: H1 antihistaminics
has related synonym: H1 receptor antagonists
has related synonym: H1 receptor blockaders
has related synonym: H1-receptor antagonists
IAO_0000115: H1-receptor antagonists are the drugs that selectively bind to but do not activate histamine H1 receptors, thereby blocking the actions of endogenous histamine.
has related synonym: H1-receptor blocker
has related synonym: H1-receptor blockers
has db xref: PMID:22035879
has OBO namespace: chebi_ontology
has related synonym: classical antihistamines
has related synonym: classical antihistaminics
in subset: 3 STAR

histamine antagonist
type: Class
subclass of: histaminergic drug
subclass of: antagonist
id: CHEBI:37956
IAO_0000115: Histamine antagonists are the drugs that bind to but do not activate histamine receptors, thereby blocking the actions of histamine or histamine agonists.
has db xref: PMID:22035879
has db xref: Wikipedia:Antihistamines
has related synonym: antihistamine
has related synonym: antihistamines
has related synonym: antihistaminico
has related synonym: antihistaminics
has OBO namespace: chebi_ontology
has related synonym: histamine receptor blocker
has related synonym: histamine receptor blockers
in subset: 3 STAR

histaminergic drug
type: Class
subclass of: neurotransmitter agent
id: CHEBI:37957
IAO_0000115: Drugs used for their actions on histaminergic systems.
has OBO namespace: chebi_ontology
has related synonym: histamine agents
has related synonym: histamine drugs
has related synonym: histaminergic agent
has related synonym: histaminergic agents
has related synonym: histaminergic drugs
in subset: 3 STAR

adrenergic agent
type: Class
subclass of: neurotransmitter agent
IAO_0000115: Any agent that acts on an adrenergic receptor or affects the life cycle of an adrenergic transmitter.
id: CHEBI:37962
has related synonym: adrenergic agents
has related synonym: adrenergic drug
has related synonym: adrenergic drugs
has related synonym: adrenergic neuron agents
has related synonym: adrenergics
has OBO namespace: chebi_ontology
in subset: 3 STAR

carbotricyclic compound
type: Class
subclass of: carbopolycyclic compound
subclass of: organic tricyclic compound
IAO_0000115: A carbopolyclic compound comprising of three carbocyclic rings.
id: CHEBI:38032
has related synonym: carbotricyclic compounds
has OBO namespace: chebi_ontology
in subset: 3 STAR

antimalarial
type: Class
subclass of: antiplasmodial drug
IAO_0000115: A drug used in the treatment of malaria. Antimalarials are usually classified on the basis of their action against Plasmodia at different stages in their life cycle in the human.
id: CHEBI:38068
has related synonym: antimalarials
has OBO namespace: chebi_ontology
in subset: 3 STAR

anti-arrhythmia drug
type: Class
subclass of: cardiovascular drug
IAO_0000115: A drug used for the treatment or prevention of cardiac arrhythmias. Anti-arrhythmia drugs may affect the polarisation-repolarisation phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibres.
id: CHEBI:38070
has related synonym: antiarrhythmic agent
has OBO namespace: chebi_ontology
in subset: 3 STAR

polypyrrole
type: Class
subclass of: organonitrogen heterocyclic compound
IAO_0000115: A compound composed of two or more pyrrole units.
has db xref: Beilstein:8538310
id: CHEBI:38077
has related synonym: PPys
has OBO namespace: chebi_ontology
has related synonym: poly(pyrrole)s
has related synonym: polypyrroles
in subset: 3 STAR

organonitrogen heterocyclic compound
type: Class
subclass of: organic heterocyclic compound
subclass of: organonitrogen compound
IAO_0000115: Any organonitrogen compound containing a cyclic component with nitrogen and at least one other element as ring member atoms.
id: CHEBI:38101
has OBO namespace: chebi_ontology
has related synonym: heterocyclic organonitrogen compounds
has related synonym: organonitrogen heterocyclic compounds
in subset: 3 STAR

oxacycle
type: Class
subclass of: organic heterocyclic compound
subclass of: organooxygen compound
IAO_0000115: Any organic heterocyclic compound containing at least one ring oxygen atom.
id: CHEBI:38104
has db xref: PMID:17134300
has OBO namespace: chebi_ontology
has related synonym: heterocyclic organooxygen compounds
has related synonym: organooxygen heterocyclic compounds
has related synonym: oxacycles
in subset: 3 STAR

organosulfur heterocyclic compound
type: Class
subclass of: organic heterocyclic compound
subclass of: organosulfur compound
id: CHEBI:38106
has OBO namespace: chebi_ontology
has related synonym: heterocyclic organosulfur compounds
has related synonym: organosulfur heterocyclic compounds
in subset: 3 STAR

cardiotonic drug
type: Class
subclass of: cardiovascular drug
IAO_0000115: A drug that has a strengthening effect on the heart or that can increase cardiac output.
id: CHEBI:38147
has related synonym: cardiotonic drugs
has OBO namespace: chebi_ontology
in subset: 3 STAR

chelator
type: Class
subclass of: ligand
IAO_0000115: A ligand with two or more separate binding sites that can bind to a single metallic central atom, forming a chelate.
has alternative id: CHEBI:23090
has alternative id: CHEBI:3585
id: CHEBI:38161
has alternative id: CHEBI:6789
has related synonym: Chelating agent
has db xref: KEGG:C00917
has db xref: KEGG:C02169
has related synonym: Metal chelator
has OBO namespace: chebi_ontology
has related synonym: chelating agents
has related synonym: chelators
has related synonym: complexon
in subset: 3 STAR

organic heteropolycyclic compound
type: Class
subclass of: organic heterocyclic compound
subclass of: heteropolycyclic compound
has alternative id: CHEBI:25429
has alternative id: CHEBI:38075
id: CHEBI:38166
has OBO namespace: chebi_ontology
has related synonym: organic heteropolycyclic compounds
in subset: 3 STAR

monocyclic heteroarene
type: Class
subclass of: heteroarene
id: CHEBI:38179
has OBO namespace: chebi_ontology
has related synonym: monocyclic heteroarenes
in subset: 3 STAR

polycyclic heteroarene
type: Class
subclass of: heteroarene
id: CHEBI:38180
has OBO namespace: chebi_ontology
has related synonym: polycyclic heteroarenes
in subset: 3 STAR

hydrocarbyl anion
type: Class
subclass of: organic anion
id: CHEBI:38222
has OBO namespace: chebi_ontology
in subset: 1 STAR

pyrrolidines
type: Class
subclass of: organic heteromonocyclic compound
subclass of: organonitrogen heterocyclic compound
IAO_0000115: Any of a class of heterocyclic amines having a saturated five-membered ring.
has alternative id: CHEBI:26922
has alternative id: CHEBI:38191
id: CHEBI:38260
has OBO namespace: chebi_ontology
in subset: 3 STAR

imidazolidines
type: Class
subclass of: diazolidine
id: CHEBI:38261
has OBO namespace: chebi_ontology
in subset: 3 STAR

2-amino-3-hydroxybutanoic acid
type: Class
subclass of: alpha-amino acid
charge: 0
monoisotopicmass: 119.058
mass: 119.11920
has exact synonym: 2-amino-3-hydroxybutanoic acid
inchikey: AYFVYJQAPQTCCC-UHFFFAOYSA-N
IAO_0000115: An alpha-amino acid that is butanoic acid substituted by an amino group at position 2 and a hydroxy group at position 3.
has db xref: Beilstein:1098902
formula: C4H9NO3
smiles: CC(O)C(N)C(O)=O
id: CHEBI:38263
inchi: InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)
has OBO namespace: chebi_ontology
in subset: 3 STAR

2-amino-3-methylpentanoic acid
type: Class
subclass of: branched-chain amino acid
subclass of: alpha-amino acid
charge: 0
monoisotopicmass: 131.095
mass: 131.17296
has exact synonym: 2-amino-3-methylpentanoic acid
IAO_0000115: A branched chain amino acid that consists of 3-methylpentanoic acid bearing an amino substituent at position 2.
inchikey: AGPKZVBTJJNPAG-UHFFFAOYSA-N
formula: C6H13NO2
has db xref: CAS:443-79-8
smiles: CCC(C)C(N)C(O)=O
id: CHEBI:38264
inchi: InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)
has db xref: KEGG:C16434
has db xref: PMID:10944265
has db xref: Reaxys:1721790
has OBO namespace: chebi_ontology
in subset: 3 STAR

pyrrolidinone
type: Class
subclass of: pyrrolidines
id: CHEBI:38275
has OBO namespace: chebi_ontology
has related synonym: pyrrolidinones
in subset: 3 STAR

L-ascorbate
type: Class
subclass of: ascorbate
has exact synonym: (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2,5-dihydrofuran-3-olate
charge: -1
monoisotopicmass: 175.024
mass: 175.11618
has related synonym: Ascorbate
has db xref: Beilstein:3549814
formula: C6H7O6
has db xref: CAS:299-36-5
has alternative id: CHEBI:13082
has alternative id: CHEBI:13861
id: CHEBI:38290
inchikey: CIWBSHSKHKDKBQ-JLAZNSOCSA-M
has db xref: Gmelin:506552
inchi: InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/p-1/t2-,5+/m0/s1
has db xref: KEGG:C00072
has exact synonym: L-Ascorbate
has exact synonym: L-ascorbate
has related synonym: L-ascorbate(1-)
has related synonym: L-ascorbic acid, ion(1-)
has db xref: PMID:18450228
has db xref: PMID:18678913
has db xref: PMID:19162177
has db xref: PMID:9506998
IAO_0000115: The L-enantiomer of ascorbate and conjugate base of L-ascorbic acid, arising from selective deprotonation of the 3-hydroxy group. Required for a range of essential metabolic reactions in all animals and plants.
has related synonym: Vitamin C
smiles: [H][C@@]1(OC(=O)C(O)=C1[O-])[C@@H](O)CO
has OBO namespace: chebi_ontology
in subset: 3 STAR

diazolidine
type: Class
subclass of: organic heteromonocyclic compound
subclass of: organonitrogen heterocyclic compound
id: CHEBI:38304
has OBO namespace: chebi_ontology
has related synonym: diazolidines
in subset: 3 STAR

imidazolyl carboxylic acid
type: Class
subclass of: imidazoles
subclass of: aromatic carboxylic acid
IAO_0000115: Any member of the class of imidazoles in which the imidazole ring is substituted by one (or more) carboxy group(s).
id: CHEBI:38307
has OBO namespace: chebi_ontology
has related synonym: imidazolyl carboxylic acids
in subset: 3 STAR

diazines
type: Class
subclass of: organic heteromonocyclic compound
subclass of: organonitrogen heterocyclic compound
IAO_0000115: Any organic heterocyclic compound containing a benzene ring in which two of the C-H fragments have been replaced by isolobal nitrogens (the diazine parent structure).
id: CHEBI:38313
has OBO namespace: chebi_ontology
in subset: 3 STAR

pyrazines
type: Class
subclass of: diazines
id: CHEBI:38314
has OBO namespace: chebi_ontology
in subset: 3 STAR

pyrimidinecarboxylate anion
type: Class
subclass of: monocarboxylic acid anion
id: CHEBI:38316
has OBO namespace: chebi_ontology
has related synonym: pyrimidinecarboxylate anions
in subset: 3 STAR

cholinergic drug
type: Class
subclass of: neurotransmitter agent
IAO_0000115: Any drug used for its actions on cholinergic systems. Included here are agonists and antagonists, drugs that affect the life cycle of acetylcholine, and drugs that affect the survival of cholinergic neurons.
id: CHEBI:38323
has OBO namespace: chebi_ontology
has related synonym: cholinergic agent
has related synonym: cholinergic drugs
has related synonym: cholinomimetic
in subset: 3 STAR

cholinergic agonist
type: Class
subclass of: cholinergic drug
IAO_0000115: Any drug that binds to and activates cholinergic receptors.
id: CHEBI:38324
has related synonym: acetylcholine agonist
has related synonym: acetylcholine agonists
has related synonym: acetylcholine receptor agonist
has OBO namespace: chebi_ontology
has related synonym: cholinergic agonists
has related synonym: cholinomimetic
has related synonym: cholinomimetics
in subset: 3 STAR

muscarinic agonist
type: Class
subclass of: cholinergic agonist
IAO_0000115: Any drug that binds to and activates a muscarinic cholinergic receptor.
id: CHEBI:38325
has OBO namespace: chebi_ontology
has related synonym: muscarinic acetylcholine receptor agonist
has related synonym: muscarinic agonists
has related synonym: muscarinic cholinergic agonist
has related synonym: muscarinic cholinergic agonists
in subset: 3 STAR

pyrimidone
type: Class
subclass of: pyrimidines
IAO_0000115: A pyrimidine carrying one or more oxo substituents.
id: CHEBI:38337
has OBO namespace: chebi_ontology
has related synonym: pyrimidones
in subset: 3 STAR

aminopyrimidine
type: Class
subclass of: aromatic amine
subclass of: pyrimidines
IAO_0000115: A member of the class of pyrimidines that is pyrimidine substituted by at least one amino group and its derivatives.
id: CHEBI:38338
has related synonym: aminopyrimidines
has OBO namespace: chebi_ontology
in subset: 3 STAR

trans-pent-2-enoic acid
type: Class
subclass of: pent-2-enoic acid
has related synonym: (2E)-2-pentenoic acid
has exact synonym: (2E)-pent-2-enoic acid
has related synonym: (E)-2-pentenic acid
has related synonym: (E)-2-pentenoic acid
has related synonym: (E)-pent-2-en-1-oic acid
charge: 0
monoisotopicmass: 100.052
mass: 100.11582
has related synonym: 5:1, n-3 trans
IAO_0000115: A pent-3-enoic acid in trans- configuration.
has related synonym: C5:1, n-3 trans
formula: C5H8O2
has db xref: CAS:13991-37-2
smiles: CC\C=C\C(O)=O
id: CHEBI:38366
has related synonym: E-2-Pentencarbonsaeure
inchi: InChI=1S/C5H8O2/c1-2-3-4-5(6)7/h3-4H,2H2,1H3,(H,6,7)/b4-3+
has db xref: LIPID_MAPS_instance:LMFA01030005
has related synonym: Pent-2t-ensaeure
has db xref: Reaxys:1720312
inchikey: YIYBQIKDCADOSF-ONEGZZNKSA-N
has OBO namespace: chebi_ontology
has related synonym: trans-2-pentenic acid
has related synonym: trans-2-pentenoic acid
has related synonym: trans-Pent-2-ensaeure
has related synonym: trans-alpha,beta-penteneoic acid
in subset: 3 STAR

1,3-thiazoles
type: Class
subclass of: thiazoles
has exact synonym: 1,3-thiazoles
has alternative id: CHEBI:26949
has alternative id: CHEBI:38417
id: CHEBI:38418
has OBO namespace: chebi_ontology
in subset: 3 STAR

1-benzopyran
type: Class
subclass of: benzopyran
has related synonym: 1-benzopyrans
id: CHEBI:38443
has OBO namespace: chebi_ontology
in subset: 3 STAR

carbamate insecticide
type: Class
subclass of: insecticide
subclass of: EC 3.1.1.7 (acetylcholinesterase) inhibitor
id: CHEBI:38461
IAO_0000115: Derivatives of carbamic acid with insecticidal properties of general formula ROC(=O)NR(1)R(2), where ROH is an alcohol, oxime, or phenol and R(1) is hydrogen or methyl. Like organophosphate insecticides, they are cholinesterase inhibitors, but carbamate insecticides differ in action from the organophosphates in that the inhibitory effect on cholinesterase is generally brief.
has related synonym: carbamate insecticides
has OBO namespace: chebi_ontology
in subset: 3 STAR

EC 3.1.1.7 (acetylcholinesterase) inhibitor
type: Class
subclass of: EC 3.1.1.* (carboxylic ester hydrolase) inhibitor
has related synonym: AChEI
has related synonym: AcCholE inhibitor
has related synonym: AcCholE inhibitors
IAO_0000115: An EC 3.1.1.* (carboxylic ester hydrolase) inhibitor that interferes with the action of enzyme acetylcholinesterase (EC 3.1.1.7), which helps breaking down of acetylcholine into choline and acetic acid.
id: CHEBI:38462
has related synonym: EC 3.1.1.7 (acetylcholinesterase) inhibitors
has related synonym: EC 3.1.1.7 inhibitor
has related synonym: EC 3.1.1.7 inhibitors
has db xref: Wikipedia:Acetylcholinesterase_inhibitor
has related synonym: acetyl.beta-methylcholinesterase inhibitor
has related synonym: acetyl.beta-methylcholinesterase inhibitors
has related synonym: acetylcholine acetylhydrolase inhibitor
has related synonym: acetylcholine acetylhydrolase inhibitors
has related synonym: acetylcholine esterase inhibitor
has related synonym: acetylcholine hydrolase inhibitor
has related synonym: acetylcholine hydrolase inhibitors
has related synonym: acetylcholinesterase (EC 3.1.1.7) inhibitor
has related synonym: acetylcholinesterase (EC 3.1.1.7) inhibitors
has related synonym: acetylcholinesterase inhibitor
has related synonym: acetylcholinesterase inhibitors
has related synonym: acetylthiocholinesterase inhibitor
has related synonym: acetylthiocholinesterase inhibitors
has OBO namespace: chebi_ontology
has related synonym: choline esterase I inhibitor
has related synonym: choline esterase I inhibitors
has related synonym: cholinesterase inhibitor
has related synonym: cholinesterase inhibitors
has related synonym: true cholinesterase inhibitor
has related synonym: true cholinesterase inhibitors
in subset: 3 STAR

imidazolyl carboxylic acid anion
type: Class
subclass of: monocarboxylic acid anion
IAO_0000115: A monocarboxylic acid anion resulting from the deprotonation of the carboxy group of an imidazolyl carboxylic acid.
id: CHEBI:38466
has OBO namespace: chebi_ontology
has related synonym: imidazolyl carboxylic acid anions
in subset: 3 STAR

electron-transport chain inhibitor
type: Class
subclass of: pathway inhibitor
id: CHEBI:38496
has OBO namespace: chebi_ontology
in subset: 1 STAR

respiratory-chain inhibitor
type: Class
subclass of: electron-transport chain inhibitor
id: CHEBI:38497
has OBO namespace: chebi_ontology
in subset: 1 STAR

isoquinoline alkaloid fundamental parent
type: Class
subclass of: alkaloid fundamental parent
id: CHEBI:38515
has OBO namespace: chebi_ontology
has related synonym: isoquinoline alkaloid fundamental parents
in subset: 3 STAR

1-(methylsulfanyl)acetaldoxime
type: Class
subclass of: methyl sulfide
charge: 0
has related synonym: 1-(Methylthio)acetaldehyde oxime
has related synonym: 1-(Methylthio)acetaldoxime
monoisotopicmass: 105.025
mass: 105.15982
has db xref: Beilstein:1901214
formula: C3H7NOS
has db xref: CAS:13749-94-5
id: CHEBI:38534
smiles: CSC(C)=NO
inchi: InChI=1S/C3H7NOS/c1-3(4-5)6-2/h5H,1-2H3
has related synonym: Methomyl oxime
has related synonym: Methyl N-hydroxyacetimidothioate
has related synonym: Methyl N-hydroxyethanimidothioate
has related synonym: Methyl thioacetohydroxamate
inchikey: TYEVWCPZVQACAE-UHFFFAOYSA-N
has OBO namespace: chebi_ontology
has exact synonym: methyl N-hydroxyethanimidothioate
in subset: 3 STAR

simple protein
type: Class
subclass of: protein
id: CHEBI:38560
has OBO namespace: chebi_ontology
has related synonym: simple proteins
in subset: 3 STAR

diazine
type: Class
subclass of: mancude organic heteromonocyclic parent
subclass of: monocyclic heteroarene
subclass of: diazines
subclass of: azaarene
formula: C4H4N2
id: CHEBI:38627
has related synonym: Diazin
IAO_0000115: The parent structure of the diazines.
has OBO namespace: chebi_ontology
in subset: 3 STAR

aminoalkylindole
type: Class
subclass of: indoles
has alternative id: CHEBI:22503
has alternative id: CHEBI:24792
id: CHEBI:38631
has related synonym: aminoalkylindoles
has OBO namespace: chebi_ontology
in subset: 3 STAR

membrane transport modulator
type: Class
subclass of: biophysical role
IAO_0000115: Any agent that affects the transport of molecular entities across a biological membrane.
id: CHEBI:38632
has OBO namespace: chebi_ontology
has related synonym: membrane transport modulators
in subset: 3 STAR

organic sodium salt
type: Class
subclass of: organic salt
subclass of: sodium salt
id: CHEBI:38700
has OBO namespace: chebi_ontology
has exact synonym: organic sodium salt
has related synonym: organic sodium salts
in subset: 3 STAR

inorganic sodium salt
type: Class
subclass of: inorganic salt
subclass of: sodium salt
id: CHEBI:38702
has OBO namespace: chebi_ontology
has related synonym: inorganic sodium salts
in subset: 3 STAR

carboxylic acid dianion
type: Class
subclass of: carboxylic acid anion
IAO_0000115: Any dianion containing at least one carboxy group.
id: CHEBI:38716
has exact synonym: carboxylic acid dianion
has related synonym: carboxylic acid dianions
has OBO namespace: chebi_ontology
in subset: 3 STAR

carboxylic acid trianion
type: Class
subclass of: carboxylic acid anion
IAO_0000115: A trianion containing at least one carboxy group.
id: CHEBI:38717
has exact synonym: carboxylic acid trianion
has related synonym: carboxylic acid trianions
has OBO namespace: chebi_ontology
in subset: 3 STAR

pteroate
type: Class
subclass of: pteroates
formula: C14H11N6O3
has alternative id: CHEBI:37074
id: CHEBI:38793
has OBO namespace: chebi_ontology
in subset: 3 STAR

pteroic acid
type: Class
subclass of: pteroic acids
formula: C14H12N6O3
has db xref: CAS:119-24-4
has alternative id: CHEBI:26378
id: CHEBI:38794
has db xref: DrugBank:DB04196
has exact synonym: Pteroic acid
has related synonym: Pteroinsaeure
has OBO namespace: chebi_ontology
in subset: 3 STAR

pteroic acids
type: Class
subclass of: monocarboxylic acid
subclass of: pterins
id: CHEBI:38795
has OBO namespace: chebi_ontology
in subset: 3 STAR

pteroates
type: Class
subclass of: aminobenzoate
subclass of: monocarboxylic acid anion
id: CHEBI:38796
has OBO namespace: chebi_ontology
in subset: 3 STAR

calcium channel agonist
type: Class
subclass of: calcium channel modulator
IAO_0000115: Agents that increase calcium influx into calcium channels of excitable tissues.
id: CHEBI:38807
has related synonym: calcium channel activator
has related synonym: calcium channel activators
has related synonym: calcium channel agonists
has OBO namespace: chebi_ontology
in subset: 3 STAR

calcium channel modulator
type: Class
subclass of: membrane transport modulator
IAO_0000115: A membrane transport modulator that is able to regulate intracellular calcium levels.
id: CHEBI:38808
has related synonym: calcium channel modulators
has OBO namespace: chebi_ontology
in subset: 3 STAR

ryanodine receptor modulator
type: Class
subclass of: calcium channel modulator
id: CHEBI:38809
has related synonym: RyR modulator
has OBO namespace: chebi_ontology
has related synonym: ryanodine receptor modulators
has related synonym: ryanodine-sensitive calcium channel modulator
has related synonym: ryanodine-sensitive calcium-release channel modulator
in subset: 3 STAR

fluorocarbon
type: Class
subclass of: organofluorine compound
id: CHEBI:38824
IAO_0000115: Compounds consisting wholly of fluorine and carbon.
has OBO namespace: chebi_ontology
has exact synonym: fluorocarbon
has exact synonym: fluorocarbons
has related synonym: fluorocarbons
in subset: 3 STAR

tetrafluoromethane
type: Class
subclass of: fluorocarbon
subclass of: fluoromethanes
charge: 0
monoisotopicmass: 87.994
mass: 88.00431
has db xref: Beilstein:1697288
has db xref: CAS:75-73-0
has related synonym: CF4
formula: CF4
id: CHEBI:38825
smiles: FC(F)(F)F
has related synonym: Freon 14
has db xref: Gmelin:2016
has related synonym: Halon 14
inchi: InChI=1S/CF4/c2-1(3,4)5
inchikey: TXEYQDLBPFQVAA-UHFFFAOYSA-N
has related synonym: Tetrafluorkohlenstoff
has related synonym: Tetrafluormethan
has related synonym: carbon tetrafluoride
has OBO namespace: chebi_ontology
has related synonym: perfluoromethane
has related synonym: tetrafluoridocarbon
has related synonym: tetrafluorocarbon
has exact synonym: tetrafluoromethane
in subset: 3 STAR

halophenol
type: Class
subclass of: phenols
subclass of: organohalogen compound
id: CHEBI:38856
has OBO namespace: chebi_ontology
has exact synonym: halophenol
has related synonym: halophenols
in subset: 3 STAR

anaesthetic
type: Class
subclass of: drug
has related synonym: Anaesthetika
has related synonym: Anaesthetikum
id: CHEBI:38867
IAO_0000115: Substance which produces loss of feeling or sensation.
has exact synonym: anaesthetic
has related synonym: anaesthetics
has related synonym: anesthetic agent
has related synonym: anesthetic drug
has related synonym: anesthetics
has OBO namespace: chebi_ontology
in subset: 3 STAR

general anaesthetic
type: Class
subclass of: anaesthetic
has related synonym: Allgemeinanaesthetika
has related synonym: Allgemeinanaesthetikum
id: CHEBI:38869
IAO_0000115: Substance that produces loss of consciousness.
has OBO namespace: chebi_ontology
has exact synonym: general anaesthetic
has related synonym: general anaesthetics
has related synonym: general anesthetics
in subset: 3 STAR

inhalation anaesthetic
type: Class
subclass of: general anaesthetic
id: CHEBI:38870
has related synonym: Inhalationsanaesthetika
has related synonym: Inhalationsanaesthetikum
has related synonym: Inhalationsnarkotika
has related synonym: Inhalationsnarkotikum
has related synonym: anesthetic gases
has OBO namespace: chebi_ontology
has related synonym: inhalation anesthetics
in subset: 3 STAR

corticotropin
type: Class
subclass of: polypeptide
subclass of: peptide hormone
subclass of: biomacromolecule
charge: 0
monoisotopicmass: 4538.259
mass: 4541.06600
IAO_0000115: A polypeptide hormone produced and secreted by the pituitary gland comprising 39 amino acid residues coupled in a linear sequence. The N-terminal 24-amino acid segment is identical in all species and contains the adrenocorticotrophic activity. Corticotropin stimulates the cortex of the adrenal gland and boosts the synthesis of corticosteroids, mainly glucocorticoids but also sex steroids (androgens). It is used in the treatment of certain neurological disorders such as infantile spasms and multiple sclerosis, and diagnostically to investigate adrenocortical insufficiency.
has related synonym: ACTH
has related synonym: Adrenocorticotropic hormone
formula: C207H308N56O58S
has db xref: CAS:9002-60-2
id: CHEBI:3892
has exact synonym: Corticotropin
has db xref: DrugBank:DB01285
has db xref: Drug_Central:4931
inchikey: IDLFZVILOHSSID-OVLDLUHVSA-N
has db xref: KEGG:C02017
has db xref: KEGG:D00146
has exact synonym: L-seryl-L-tyrosyl-L-seryl-L-methionyl-L-alpha-glutamyl-L-histidyl-L-phenylalanyl-L-arginyl-L-tryptophylglycyl-L-lysyl-L-prolyl-L-valylglycyl-L-lysyl-L-lysyl-L-arginyl-L-arginyl-L-prolyl-L-valyl-L-lysyl-L-valyl-L-tyrosyl-L-prolyl-L-alpha-aspartylglycyl-L-alanyl-L-alpha-glutamyl-L-alpha-aspartyl-L-alpha-glutamyl-L-seryl-L-alanyl-L-alpha-glutamyl-L-alanyl-L-phenylalanyl-L-prolyl-L-leucyl-L-alpha-glutamyl-L-phenylalanine
has related synonym: SYSMEHFRWGKPVGKKRRPVKVYPDGAEDQLAEAFPLEF
has related synonym: adrenocorticotropin
has OBO namespace: chebi_ontology
has related synonym: corticotrofina
has related synonym: corticotrophine
has related synonym: corticotrophinum
has related synonym: corticotropin
has related synonym: cortrophin
in subset: 3 STAR

indole alkaloid
type: Class
subclass of: alkaloid
subclass of: Restriction
  on property: has part
  some values from: indole skeleton
IAO_0000115: An alkaloid containing an indole skeleton.
has alternative id: CHEBI:24795
id: CHEBI:38958
has alternative id: CHEBI:5901
has exact synonym: Indole alkaloid
has db xref: KEGG:C06073
has db xref: Wikipedia:Indole_alkaloid
has OBO namespace: chebi_ontology
has related synonym: indole alkaloids
in subset: 3 STAR

methylbenzene
type: Class
subclass of: alkylbenzene
IAO_0000115: Any alkylbenzene that is benzene substituted with one or more methyl groups.
id: CHEBI:38975
has OBO namespace: chebi_ontology
has related synonym: methylbenzenes
in subset: 3 STAR

alkylbenzene
type: Class
subclass of: benzenes
subclass of: monocyclic arene
IAO_0000115: A monocyclic arene that is benzene substituted with one or more alkyl groups.
has related synonym: Alkylbenzol
id: CHEBI:38976
has exact synonym: alkylbenzene
has related synonym: alkylbenzenes
has OBO namespace: chebi_ontology
in subset: 3 STAR

apolipoprotein
type: Class
subclass of: apoprotein
id: CHEBI:39015
IAO_0000115: Protein component on the surface of lipoprotein.
has related synonym: apolipoproteins
has OBO namespace: chebi_ontology
in subset: 3 STAR

inclusion compound
type: Class
subclass of: non-covalently-bound molecular entity
IAO_0000115: A complex in which one component (the host) forms a cavity or, in the case of a crystal, a crystal lattice containing spaces in the shape of long tunnels or channels in which molecular entities of a second chemical species (the guest) are located. There is no covalent bonding between guest and host, the attraction being generally due to van der Waals forces.
id: CHEBI:39022
has OBO namespace: chebi_ontology
has related synonym: compose d'inclusion
has related synonym: compuesto de inclusion
has related synonym: compuestos de inclusion
has related synonym: inclusion complex
has exact synonym: inclusion compound
has related synonym: inclusion compounds
in subset: 3 STAR

clathrate compound
type: Class
subclass of: inclusion compound
id: CHEBI:39024
has related synonym: Clathrat
has related synonym: Clathratverbindung
IAO_0000115: Inclusion compound in which the guest molecule is in a cage formed by the host molecule or by a lattice of host molecules.
has related synonym: Klathrat
has related synonym: Klathratverbindung
has related synonym: cage compound
has OBO namespace: chebi_ontology
has related synonym: clathrate
has related synonym: clathrate compounds
has exact synonym: clathrates
has related synonym: clatrato
has related synonym: clatratos
has related synonym: compuesto de clatrato
in subset: 3 STAR

low-density lipoprotein
type: Class
subclass of: lipoprotein
subclass of: Restriction
  on property: has part
  some values from: low-density lipoprotein cholesterol
IAO_0000115: A class of lipoproteins of small size (18-25 nm) and low density (1.019-1.063 g/ml) particles with a core composed mainly of cholesterol esters and smaller amounts of triglycerides. The surface monolayer consists mostly of phospholipids, a single copy of apolipoprotein B-100, and free cholesterol molecules. The main function of LDL is to transport cholesterol and cholesterol esters from the liver. Excessive levels are associated with cardiovascular disease.
id: CHEBI:39026
has related synonym: LDL
has db xref: PMID:11082530
has db xref: PMID:15583011
has db xref: PMID:15913955
has db xref: PMID:19349632
has db xref: PMID:28401639
has db xref: PMID:28432662
has db xref: PMID:28792690
has db xref: PMID:28827781
has db xref: PMID:28847800
has db xref: PMID:28859941
has db xref: PMID:28870972
has db xref: Wikipedia:Low-density_lipoprotein
has related synonym: beta-lipoproteins
has OBO namespace: chebi_ontology
has related synonym: low-density lipoproteins
in subset: 3 STAR

calcium cation
type: Class
subclass of: alkaline earth cation
subclass of: calcium ion
id: CHEBI:39123
formula: Ca
has exact synonym: calcium cation
has related synonym: calcium cations
has OBO namespace: chebi_ontology
in subset: 3 STAR

calcium ion
type: Class
subclass of: metal cation
subclass of: elemental calcium
id: CHEBI:39124
formula: Ca
has exact synonym: calcium ion
has related synonym: calcium ions
has OBO namespace: chebi_ontology
in subset: 3 STAR

Bronsted acid
type: Class
subclass of: donor
subclass of: acid
IAO_0000115: A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
has exact synonym: Bronsted acid
has related synonym: Bronsted-Saeure
id: CHEBI:39141
has related synonym: acide de Bronsted
has OBO namespace: chebi_ontology
has related synonym: donneur d'hydron
has related synonym: hydron donor
in subset: 3 STAR

Bronsted base
type: Class
subclass of: acceptor
subclass of: base
IAO_0000115: A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
has exact synonym: Bronsted base
has related synonym: Bronsted-Base
id: CHEBI:39142
has related synonym: accepteur d'hydron
has related synonym: base de Bronsted
has OBO namespace: chebi_ontology
has related synonym: hydron acceptor
in subset: 3 STAR

Lewis base
type: Class
subclass of: donor
subclass of: base
IAO_0000115: A molecular entity able to provide a pair of electrons and thus capable of forming a covalent bond with an electron-pair acceptor (Lewis acid), thereby producing a Lewis adduct.
id: CHEBI:39144
has exact synonym: Lewis base
has related synonym: Lewis-Base
has related synonym: base de Lewis
has OBO namespace: chebi_ontology
has related synonym: donneur d'une paire d'electrons
has related synonym: electron donor
in subset: 3 STAR

4-oxopentanoate
type: Class
subclass of: oxopentanoates
charge: -1
monoisotopicmass: 115.040
mass: 115.10728
has related synonym: 3-acetylpropionate
has related synonym: 4-ketovalerate
has exact synonym: 4-oxopentanoate
has related synonym: 4-oxovalerate
IAO_0000115: A member of the class of oxopentanoates that is the conjugate base of 4-oxopentanoic acid.
has db xref: Beilstein:3537533
formula: C5H7O3
smiles: CC(=O)CCC([O-])=O
id: CHEBI:39150
has db xref: Gmelin:325844
inchi: InChI=1S/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8)/p-1
inchikey: JOOXCMJARBKPKM-UHFFFAOYSA-M
has db xref: Reaxys:3537533
has related synonym: beta-acetylpropionate
has OBO namespace: chebi_ontology
has related synonym: gamma-ketovalerate
has related synonym: laevulinate
has related synonym: levulate
has related synonym: levulinate
in subset: 3 STAR

(R)-nicotine
type: Class
subclass of: 3-(1-methylpyrrolidin-2-yl)pyridine
has related synonym: (+)-nicotine
has related synonym: (R)-3-(1-methyl-2-pyrrolidinyl)pyridine
charge: 0
monoisotopicmass: 162.116
mass: 162.23160
has exact synonym: 3-[(2R)-1-methylpyrrolidin-2-yl]pyridine
IAO_0000115: A 3-(1-methylpyrrolidin-2-yl)pyridine in which the chiral centre has R-configuration.
has db xref: Beilstein:4666243
has db xref: Beilstein:82110
formula: C10H14N2
has db xref: CAS:25162-00-9
id: CHEBI:39162
smiles: CN1CCC[C@@H]1c1cccnc1
inchi: InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m1/s1
has db xref: KEGG:C16386
inchikey: SNICXCGAKADSCV-SNVBAGLBSA-N
has OBO namespace: chebi_ontology
has related synonym: d-nicotine
has related synonym: pseudonicotine
in subset: 3 STAR

halomethane
type: Class
subclass of: haloalkane
subclass of: one-carbon compound
IAO_0000115: A haloalkane that is methane in which one (or more) of the hydrogens have been replaced by a halogen atom/halogen atoms.
id: CHEBI:39279
has OBO namespace: chebi_ontology
has exact synonym: halomethane
has related synonym: halomethanes
in subset: 3 STAR

fluoromethanes
type: Class
subclass of: fluoroalkane
subclass of: halomethane
IAO_0000115: A halomethane that is methane in which one or more hydrogens has been replaced by fluorine.
id: CHEBI:39281
has OBO namespace: chebi_ontology
in subset: 3 STAR

growth regulator
type: Class
subclass of: biological role
IAO_0000115: Any chemical substance that inhibits the life-cycle of an organism.
id: CHEBI:39317
has OBO namespace: chebi_ontology
has related synonym: growth regulators
in subset: 3 STAR

branched-chain saturated fatty acid
type: Class
subclass of: saturated fatty acid
subclass of: branched-chain fatty acid
IAO_0000115: Any saturated fatty acid with a carbon side-chain or isopropyl termination.
id: CHEBI:39417
has related synonym: branched saturated fatty acid
has related synonym: branched saturated fatty acids
has exact synonym: branched-chain saturated fatty acid
has related synonym: branched-chain saturated fatty acids
has OBO namespace: chebi_ontology
in subset: 3 STAR

straight-chain saturated fatty acid
type: Class
subclass of: saturated fatty acid
subclass of: straight-chain fatty acid
IAO_0000115: Any saturated fatty acid lacking a side-chain.
id: CHEBI:39418
has db xref: PMID:15644336
has OBO namespace: chebi_ontology
has exact synonym: straight-chain saturated fatty acid
has related synonym: straight-chain saturated fatty acids
in subset: 3 STAR

tocol
type: Class
subclass of: chromanol
has related synonym: 2-methyl-2-phytyl-6-chromanol
IAO_0000115: A chromanol with a chroman-6-ol skeleton that is substituted at position 2 by a saturated or triply-unsaturated hydrocarbon chain consisting of three isoprenoid units.
has db xref: CAS:119-98-2
has alternative id: CHEBI:27010
has alternative id: CHEBI:27011
id: CHEBI:39437
has db xref: Reaxys:1436460
has OBO namespace: chebi_ontology
has related synonym: tocols
in subset: 3 STAR

pyrimidines
type: Class
subclass of: diazines
IAO_0000115: Any compound having a pyrimidine as part of its structure.
has alternative id: CHEBI:13681
has alternative id: CHEBI:26448
id: CHEBI:39447
has OBO namespace: chebi_ontology
in subset: 3 STAR

dihydrogenphosphate
type: Class
subclass of: phosphate ion
subclass of: monovalent inorganic anion
charge: -1
monoisotopicmass: 96.969
mass: 96.98724
IAO_0000115: A monovalent inorganic anion that consists of phosphoric acid in which one of the three OH groups has been deprotonated.
has alternative id: CHEBI:29137
has alternative id: CHEBI:39739
id: CHEBI:39745
has related synonym: DIHYDROGENPHOSPHATE ION
has db xref: DrugBank:DB02831
has db xref: Gmelin:1999
formula: H2O4P
has related synonym: H2PO4(-)
inchi: InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-1
inchikey: NBIIXXVUZAFLBC-UHFFFAOYSA-M
has db xref: PDBeChem:2HP
smiles: [H]OP([O-])(=O)O[H]
has related synonym: [PO2(OH)2](-)
has OBO namespace: chebi_ontology
has exact synonym: dihydrogen(tetraoxidophosphate)(1-)
has exact synonym: dihydrogenphosphate
has exact synonym: dihydrogentetraoxophosphate(1-)
has exact synonym: dihydrogentetraoxophosphate(V)
has exact synonym: dihydroxidodioxidophosphate(1-)
in subset: 3 STAR

methoxyethane
type: Class
subclass of: ether
charge: 0
has related synonym: 1-methoxyethane
monoisotopicmass: 60.058
mass: 60.09500
has related synonym: Aethylmethylaether
IAO_0000115: An ether that is the methyl ether derivative of ethanol.
has db xref: Beilstein:1730785
has related synonym: C2H5OCH3
formula: C3H8O
has db xref: CAS:540-67-0
smiles: CCOC
id: CHEBI:39832
has db xref: Gmelin:163978
inchi: InChI=1S/C3H8O/c1-3-4-2/h3H2,1-2H3
has exact synonym: METHOXYETHANE
has related synonym: Methoxyethan
has related synonym: Methylaethylaether
has db xref: PDBeChem:2ME
has db xref: PMID:12662033
has db xref: Patent:KR20080019002
has db xref: Reaxys:1730785
has db xref: Wikipedia:Methoxyethane
inchikey: XOBKSJJDNFUZPF-UHFFFAOYSA-N
has OBO namespace: chebi_ontology
has exact synonym: methoxyethane
has related synonym: methyl ethyl ether
in subset: 3 STAR

cyclic ketone
type: Class
subclass of: ketone
id: CHEBI:3992
has exact synonym: Cyclic ketone
has db xref: KEGG:C02019
has OBO namespace: chebi_ontology
has exact synonym: cyclic ketones
in subset: 3 STAR

fluoroform
type: Class
subclass of: fluoromethanes
charge: 0
monoisotopicmass: 70.003
mass: 70.01385
has db xref: Beilstein:1731035
has db xref: CAS:75-46-7
has alternative id: CHEBI:24073
has alternative id: CHEBI:41543
id: CHEBI:41550
formula: CHF3
has related synonym: CHF3
has related synonym: Freon 23
has related synonym: Freon F-23
has db xref: Gmelin:1543
inchi: InChI=1S/CHF3/c2-1(3)4/h1H
has db xref: PDBeChem:CFT
has related synonym: TRIFLUOROMETHANE
has db xref: UM-BBD_compID:c0802
inchikey: XPDWGBQVDMORPB-UHFFFAOYSA-N
smiles: [H]C(F)(F)F
has related synonym: carbon trifluoride
has OBO namespace: chebi_ontology
has exact synonym: fluoroform
has related synonym: methyl trifluoride
in subset: 3 STAR

carbonate
type: Class
subclass of: carbon oxoanion
charge: -2
monoisotopicmass: 59.985
mass: 60.00890
inchikey: BVKZGUZCCUSVTD-UHFFFAOYSA-L
has db xref: Beilstein:3600898
has related synonym: CARBONATE ION
has db xref: CAS:3812-32-6
has alternative id: CHEBI:29201
has alternative id: CHEBI:41605
id: CHEBI:41609
formula: CO3
has related synonym: CO3(2-)
has db xref: Gmelin:1559
inchi: InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-2
has related synonym: Karbonat
has db xref: PDBeChem:CO3
has related synonym: [CO3](2-)
smiles: [O-]C([O-])=O
has exact synonym: carbonate
has OBO namespace: chebi_ontology
has exact synonym: trioxidocarbonate(2-)
in subset: 3 STAR

D-hexose
type: Class
subclass of: hexose
IAO_0000115: A hexose that has D-configuration at position 5.
formula: C6H12O6
id: CHEBI:4194
has exact synonym: D-Hexose
has exact synonym: D-hexopyranose
has exact synonym: D-hexose
has related synonym: D-hexoses
has db xref: KEGG:C00738
has OBO namespace: chebi_ontology
in subset: 3 STAR

(3,4-dihydroxyphenyl)acetic acid
type: Class
subclass of: catechols
subclass of: dihydroxyphenylacetic acid
has exact synonym: (3,4-dihydroxyphenyl)acetic acid
charge: 0
monoisotopicmass: 168.042
mass: 168.14672
has related synonym: 2-(3,4-DIHYDROXYPHENYL)ACETIC ACID
has related synonym: 3,4-Dihydroxyphenyl acetic acid
has related synonym: 3,4-Dihydroxyphenylacetic acid
has related synonym: 3,4-dihydroxyphenylacetic acid
IAO_0000115: A dihydroxyphenylacetic acid having the two hydroxy substituents located at the 3- and 4-positions. It is a metabolite of dopamine.
has db xref: Beilstein:2211017
formula: C8H8O4
has db xref: CAS:102-32-9
inchikey: CFFZDZCDUFSOFZ-UHFFFAOYSA-N
has alternative id: CHEBI:1386
has alternative id: CHEBI:41936
id: CHEBI:41941
has db xref: DrugBank:DB01702
has db xref: Gmelin:874810
has db xref: HMDB:HMDB0001336
inchi: InChI=1S/C8H8O4/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3,9-10H,4H2,(H,11,12)
has db xref: KEGG:C01161
smiles: OC(=O)Cc1ccc(O)c(O)c1
has db xref: PDBeChem:DHY
has db xref: PMID:11251641
has db xref: PMID:11681538
has db xref: PMID:11868042
has db xref: PMID:15212971
has db xref: PMID:15862791
has db xref: PMID:18706927
has db xref: PMID:19191673
has db xref: PMID:22770225
has db xref: PMID:4420192
has db xref: Reaxys:2211017
has db xref: Wikipedia:DOPAC
has OBO namespace: chebi_ontology
has related synonym: dopacetic acid
has related synonym: homoprotocatechuic acid
in subset: 3 STAR

L-threitol
type: Class
subclass of: threitol
has exact synonym: (2S,3S)-butane-1,2,3,4-tetrol
charge: 0
monoisotopicmass: 122.058
mass: 122.11980
has db xref: Beilstein:1719754
has db xref: Beilstein:4652748
has db xref: Beilstein:5725953
formula: C4H10O4
id: CHEBI:42090
has related synonym: D-TREITOL
has db xref: DrugBank:DB03278
has db xref: Gmelin:1971390
inchi: InChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2/t3-,4-/m0/s1
has exact synonym: L-threitol
has related synonym: L-threo-tetritol
smiles: OC[C@H](O)[C@@H](O)CO
has db xref: PDBeChem:DTL
has db xref: PMID:15639248
has db xref: PMID:16671745
has db xref: PMID:16901854
has db xref: PMID:7925706
has db xref: Reaxys:1719754
IAO_0000115: The L-enantiomer of threitol.
inchikey: UNXHWFMMPAWVPI-IMJSIDKUSA-N
has OBO namespace: chebi_ontology
in subset: 3 STAR

(R)-lactic acid
type: Class
subclass of: 2-hydroxypropanoic acid
has related synonym: (-)-lactic acid
has exact synonym: (2R)-2-hydroxypropanoic acid
has related synonym: (R)-(-)-lactic acid
charge: 0
monoisotopicmass: 90.032
mass: 90.07794
IAO_0000115: An optically active form of lactic acid having (R)-configuration.
has db xref: Beilstein:1720252
formula: C3H6O3
has db xref: CAS:10326-41-7
has alternative id: CHEBI:341
has alternative id: CHEBI:42105
id: CHEBI:42111
has alternative id: CHEBI:43701
smiles: C[C@@H](O)C(O)=O
has related synonym: D-2-Hydroxypropanoic acid
has related synonym: D-2-Hydroxypropionic acid
has related synonym: D-Lactic acid
has related synonym: D-Milchsaeure
has related synonym: D-lactic acid
has db xref: DrugBank:DB03066
has db xref: DrugBank:DB04398
has db xref: Gmelin:362718
has db xref: HMDB:HMDB0001311
inchi: InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m1/s1
inchikey: JVTAAEKCZFNVCJ-UWTATZPHSA-N
has db xref: KEGG:C00256
has db xref: KNApSAcK:C00019549
has related synonym: LACTIC ACID
has db xref: PDBeChem:LAC
has db xref: PMID:21842515
has db xref: PMID:22127808
has db xref: PMID:22277286
has db xref: PMID:22344644
has db xref: Reaxys:1720252
has db xref: Wikipedia:Lactic_acid
has OBO namespace: chebi_ontology
in subset: 3 STAR

(S)-lactic acid
type: Class
subclass of: (2S)-2-hydroxy monocarboxylic acid
subclass of: 2-hydroxypropanoic acid
has related synonym: (+)-lactic acid
has exact synonym: (2S)-2-hydroxypropanoic acid
has related synonym: (S)-(+)-lactic acid
has related synonym: (S)-2-hydroxypropanoic acid
has related synonym: (S)-2-hydroxypropionic acid
charge: 0
monoisotopicmass: 90.032
mass: 90.07794
IAO_0000115: An optically active form of lactic acid having (S)-configuration.
has db xref: Beilstein:1720251
formula: C3H6O3
has db xref: CAS:79-33-4
id: CHEBI:422
smiles: C[C@H](O)C(O)=O
has db xref: Gmelin:362717
has db xref: HMDB:HMDB0000190
inchi: InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m0/s1
inchikey: JVTAAEKCZFNVCJ-REOHCLBHSA-N
has db xref: KEGG:C00186
has db xref: KNApSAcK:C00001191
has related synonym: L-(+)-alpha-hydroxypropionic acid
has related synonym: L-(+)-lactic acid
has related synonym: L-Lactic acid
has related synonym: L-Milchsaeure
has db xref: PMID:21996028
has db xref: PMID:22336740
has db xref: PMID:22367529
has db xref: PMID:22424924
has db xref: PMID:22443585
has db xref: PMID:22461545
has db xref: PMID:22534372
has db xref: PMID:22538963
has db xref: PMID:22578598
has db xref: Reaxys:1720251
has db xref: Wikipedia:Lactic_Acid
has OBO namespace: chebi_ontology
in subset: 3 STAR

formyl group
type: Class
subclass of: univalent carboacyl group
has related synonym: -CH(O)
has related synonym: -CHO
charge: 0
monoisotopicmass: 29.003
mass: 29.01804
has alternative id: CHEBI:24089
has alternative id: CHEBI:42480
id: CHEBI:42485
formula: CHO
has exact synonym: FORMYL GROUP
has related synonym: Fo
has related synonym: H-CO-
has db xref: PDBeChem:FOR
has exact synonym: aldehyde group
has exact synonym: carbaldehyde
has OBO namespace: chebi_ontology
has exact synonym: formyl
has related synonym: methanoyl
in subset: 3 STAR

1,1-dimethyl-4-phenylpiperazinium iodide
type: Class
subclass of: quaternary ammonium salt
subclass of: N-arylpiperazine
subclass of: piperazinium salt
subclass of: organic iodide salt
charge: 0
has related synonym: 1,1-Dimethyl-4-phenylpiperazine iodide
has exact synonym: 1,1-Dimethyl-4-phenylpiperazinium Iodide
has exact synonym: 1,1-dimethyl-4-phenylpiperazinium iodide
monoisotopicmass: 318.059
mass: 318.19721
has db xref: Beilstein:3746109
formula: C12H19N2.I
has db xref: CAS:54-77-3
id: CHEBI:4290
has related synonym: DMPP
has related synonym: DMPP iodide
has related synonym: Dimethylphenylpiperazinium iodide
inchi: InChI=1S/C12H19N2.HI/c1-14(2)10-8-13(9-11-14)12-6-4-3-5-7-12;/h3-7H,8-11H2,1-2H3;1H/q+1;/p-1
has db xref: KEGG:C07488
has related synonym: N,N-Dimethyl-N'-phenylpiperazinium iodide
inchikey: XFZJGFIKQCCLGK-UHFFFAOYSA-M
smiles: [I-].C[N+]1(C)CCN(CC1)c1ccccc1
has OBO namespace: chebi_ontology
in subset: 3 STAR

hydroxy group
type: Class
subclass of: inorganic group
has related synonym: -OH
charge: 0
monoisotopicmass: 17.003
mass: 17.00734
has alternative id: CHEBI:24706
has alternative id: CHEBI:43171
id: CHEBI:43176
formula: HO
has exact synonym: HYDROXY GROUP
has db xref: PDBeChem:HYD
has OBO namespace: chebi_ontology
has exact synonym: hydroxy
has exact synonym: hydroxy group
has related synonym: hydroxyl
has related synonym: hydroxyl group
has exact synonym: oxidanyl
in subset: 3 STAR

(4S)-4-hydroxy-3,4-dihydropyrimidin-2(1H)-one
type: Class
subclass of: pyrimidone
id: CHEBI:43254
has OBO namespace: chebi_ontology
in subset: 1 STAR

hydrogen iodide
type: Class
subclass of: gas molecular entity
subclass of: hydrogen halide
subclass of: mononuclear parent hydride
charge: 0
monoisotopicmass: 127.912
mass: 127.91241
IAO_0000115: A diatomic molecule containing covalently bonded hydrogen and iodine atoms.
has db xref: CAS:10034-85-2
id: CHEBI:43451
has alternative id: CHEBI:5591
has db xref: Gmelin:814
has related synonym: HI
formula: HI
has exact synonym: Hydrogen iodide
has related synonym: Hydrogeniodid
has related synonym: Hydroiodic acid
smiles: I[H]
inchi: InChI=1S/HI/h1H
has related synonym: Iodwasserstoff
has related synonym: Jodwasserstoff
has db xref: KEGG:C05590
has related synonym: Wasserstoffiodid
inchikey: XMBWDFGMSWQBCA-UHFFFAOYSA-N
has related synonym: [HI]
has OBO namespace: chebi_ontology
has related synonym: hydriodic acid
has exact synonym: hydrogen iodide
has related synonym: hydroiodic acid
has exact synonym: iodane
has exact synonym: iodidohydrogen
has related synonym: iodure d'hydrogene
in subset: 3 STAR

hydrogenphosphate
type: Class
subclass of: phosphate ion
subclass of: divalent inorganic anion
charge: -2
monoisotopicmass: 95.961
mass: 95.97930
IAO_0000115: A phosphate ion that is the conjugate base of dihydrogenphosphate.
has alternative id: CHEBI:29139
has alternative id: CHEBI:43470
id: CHEBI:43474
has db xref: Gmelin:1998
formula: HO4P
has related synonym: HPO4(2-)
has related synonym: HYDROGENPHOSPHATE ION
has related synonym: INORGANIC PHOSPHATE GROUP
inchi: InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-2
has db xref: MolBase:1628
inchikey: NBIIXXVUZAFLBC-UHFFFAOYSA-L
smiles: OP([O-])([O-])=O
has db xref: PDBeChem:IPS
has db xref: PDBeChem:PI
has related synonym: [P(OH)O3](2-)
has related synonym: [PO3(OH)](2-)
has OBO namespace: chebi_ontology
has related synonym: hydrogen phosphate
has exact synonym: hydrogen(tetraoxidophosphate)(2-)
has exact synonym: hydrogenphosphate
has exact synonym: hydrogentetraoxophosphate(2-)
has exact synonym: hydrogentetraoxophosphate(V)
has exact synonym: hydroxidotrioxidophosphate(2-)
has related synonym: phosphate
in subset: 3 STAR

butan-1-amine
type: Class
subclass of: primary aliphatic amine
charge: 0
has related synonym: 1-Aminobutan
has related synonym: 1-aminobutane
has related synonym: 1-butanamine
has related synonym: 1-butylamine
monoisotopicmass: 73.089
mass: 73.13680
IAO_0000115: A primary aliphatic amine that is butane substituted by an amino group at position 1.
has related synonym: BUTYLAMINE
has db xref: Beilstein:605269
formula: C4H11N
has db xref: CAS:109-73-9
smiles: CCCCN
id: CHEBI:43799
has db xref: DrugBank:DB03659
has db xref: Gmelin:1784
inchikey: HQABUPZFAYXKJW-UHFFFAOYSA-N
inchi: InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3
has db xref: MetaCyc:BUTYLAMINE
has db xref: PDBeChem:LYT
has db xref: PMID:16387436
has db xref: PMID:23470444
has db xref: PMID:23734590
has db xref: Reaxys:605269
has db xref: Wikipedia:N-Butylamine
has exact synonym: butan-1-amine
has related synonym: butanamine
has related synonym: butylamine
has OBO namespace: chebi_ontology
has related synonym: mono-n-butylamine
has related synonym: monobutylamine
has related synonym: n-Butylamin
has related synonym: n-C4H9NH2
has related synonym: n-butylamine
in subset: 3 STAR

dermatan
type: Class
subclass of: mucopolysaccharide
formula: (C14H21NO11)n
charge: 0
IAO_0000115: A mucopolysaccharide consisting of repeating beta-(1->4)-linked L-iduronyl-(beta1->3)-N-acetyl-D-galactosamine units.
id: CHEBI:4439
has exact synonym: Dermatan
has related synonym: Dermatan L-iduronate
has db xref: KEGG:C01490
has OBO namespace: chebi_ontology
in subset: 3 STAR

diphosphate(2-)
type: Class
subclass of: diphosphate ion
subclass of: divalent inorganic anion
charge: -2
monoisotopicmass: 175.928
mass: 175.95920
IAO_0000115: A divalent inorganic anion obtained by removal of both protons from diphosphoric acid.
has alternative id: CHEBI:33018
has alternative id: CHEBI:45208
id: CHEBI:45212
has db xref: DrugBank:DB02212
has db xref: Gmelin:185085
formula: H2O7P2
has related synonym: H2P2O7(2-)
inchi: InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-2
smiles: OP([O-])(=O)OP(O)([O-])=O
has db xref: PDBeChem:POP
has related synonym: PYROPHOSPHATE 2-
inchikey: XPPKVPWEQAFLFU-UHFFFAOYSA-L
has OBO namespace: chebi_ontology
has exact synonym: dihydrogen diphosphate
in subset: 3 STAR

methylcarbamic acid
type: Class
subclass of: amino acid
charge: 0
monoisotopicmass: 75.032
mass: 75.06664
IAO_0000115: An amino acid consisting of carbamic acid having an N-methyl substituent.
has db xref: Beilstein:1738994
formula: C2H5NO2
has db xref: CAS:6414-57-9
has alternative id: CHEBI:38464
has alternative id: CHEBI:45374
id: CHEBI:45379
smiles: CNC(O)=O
inchi: InChI=1S/C2H5NO2/c1-3-2(4)5/h3H,1H3,(H,4,5)
has related synonym: Methylcarbamidsaeure
has related synonym: Monomethyl carbamate
has related synonym: N-Methylcarbamate
has related synonym: N-methylcarbamic acid
has db xref: PDBeChem:RGI
has db xref: Reaxys:1738994
inchikey: UFEJKYYYVXYMMS-UHFFFAOYSA-N
has OBO namespace: chebi_ontology
has exact synonym: methylcarbamic acid
in subset: 3 STAR

13-cis-retinol
type: Class
subclass of: retinol
has related synonym: (13cis)-retinol
has related synonym: (2Z,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-ol
charge: 0
has exact synonym: 13-cis-retinol
monoisotopicmass: 286.230
mass: 286.45160
has db xref: Beilstein:1913943
formula: C20H30O
has db xref: CAS:2052-63-3
id: CHEBI:45479
inchikey: FPIPGXGPPPQFEQ-HWCYFHEPSA-N
inchi: InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13-
has db xref: LIPID_MAPS_instance:LMPR01090011
has db xref: PDBeChem:RTL
has related synonym: RETINOL
has OBO namespace: chebi_ontology
in subset: 3 STAR

sec-butyl group
type: Class
subclass of: alkyl group
subclass of: proteinogenic amino-acid side-chain group
has related synonym: -CH(CH3)-CH2-CH3
charge: 0
has exact synonym: 1-methylpropyl
monoisotopicmass: 57.070
mass: 57.11426
formula: C4H9
has related synonym: CH3-CH2-CH(CH3)-
has alternative id: CHEBI:30352
has alternative id: CHEBI:45554
id: CHEBI:45557
has db xref: PDBeChem:SBU
has exact synonym: SEC-BUTYL GROUP
has related synonym: but-2-yl
has exact synonym: butan-2-ido
has exact synonym: butan-2-yl
has OBO namespace: chebi_ontology
has related synonym: isoleucine side-chain
has related synonym: s-butyl
has exact synonym: sec-butyl
in subset: 3 STAR

ADP(3-)
type: Class
subclass of: nucleoside 5'-diphosphate(3-)
charge: -3
monoisotopicmass: 424.006
mass: 424.17730
has related synonym: 5'-O-[(phosphonatooxy)phosphinato]adenosine
IAO_0000115: A nucleoside 5'-diphosphate(3-) arising from deprotonation of all three diphosphate OH groups of adenosine 5'-diphosphate (ADP); major species present at pH 7.3.
has related synonym: ADP
has related synonym: ADP trianion
has db xref: Beilstein:3783669
formula: C10H12N5O10P2
id: CHEBI:456216
has db xref: Gmelin:341336
smiles: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])([O-])=O)[C@@H](O)[C@H]1O
inchikey: XTWYTFMLZFPYCI-KQYNXXCUSA-K
has exact synonym: adenosine 5'-diphosphate
has OBO namespace: chebi_ontology
in subset: 3 STAR

4-oxopentanoic acid
type: Class
subclass of: oxopentanoic acid
subclass of: straight-chain saturated fatty acid
charge: 0
monoisotopicmass: 116.047
mass: 116.11522
has related synonym: 3-acetylpropionic acid
has related synonym: 3-ketobutane-1-carboxylic acid
has related synonym: 4-ketovaleric acid
has exact synonym: 4-oxopentanoic acid
has related synonym: 4-oxovaleric acid
IAO_0000115: An oxopentanoic acid with the oxo group in the 4-position.
has db xref: Beilstein:506796
formula: C5H8O3
has db xref: CAS:123-76-2
smiles: CC(=O)CCC(O)=O
has alternative id: CHEBI:39149
has alternative id: CHEBI:45628
id: CHEBI:45630
has db xref: DrugBank:DB02239
has db xref: Gmelin:164703
has db xref: HMDB:HMDB0000720
inchi: InChI=1S/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8)
inchikey: JOOXCMJARBKPKM-UHFFFAOYSA-N
has related synonym: LAEVULINIC ACID
has related synonym: LEVA
has db xref: LIPID_MAPS_instance:LMFA01060006
has related synonym: Laevulinsaeure
has related synonym: Levulinsaeure
has db xref: PDBeChem:SHF
has db xref: PMID:13215009
has db xref: PMID:16662002
has db xref: PMID:19246769
has db xref: PMID:23627123
has db xref: Reaxys:506796
has db xref: Wikipedia:Levulinic_acid
has related synonym: beta-acetylpropionic acid
has OBO namespace: chebi_ontology
has related synonym: gamma-ketovaleric acid
has related synonym: levulic acid
has related synonym: levulinic acid
in subset: 3 STAR

hydrogensulfate
type: Class
subclass of: sulfur oxoanion
charge: -1
monoisotopicmass: 96.960
mass: 97.07154
has alternative id: CHEBI:29199
has alternative id: CHEBI:45693
id: CHEBI:45696
has db xref: Gmelin:2121
formula: HO4S
has related synonym: HSO4(-)
has related synonym: HYDROGEN SULFATE
inchi: InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-1
has db xref: PDBeChem:SOH
inchikey: QAOWNCQODCNURD-UHFFFAOYSA-M
smiles: [H]OS([O-])(=O)=O
has related synonym: [SO3(OH)](-)
has OBO namespace: chebi_ontology
has exact synonym: hydrogen(tetraoxidosulfate)(1-)
has exact synonym: hydrogensulfate
has exact synonym: hydrogensulfate(1-)
has exact synonym: hydrogentetraoxosulfate(1-)
has exact synonym: hydrogentetraoxosulfate(VI)
has exact synonym: hydroxidotrioxidosulfate(1-)
in subset: 3 STAR

5-fluorouracil
type: Class
subclass of: organofluorine compound
subclass of: nucleobase analogue
charge: 0
monoisotopicmass: 130.018
mass: 130.07730
has related synonym: 5-FU
has related synonym: 5-Fluoracil
has related synonym: 5-Fluoropyrimidine-2,4-dione
has exact synonym: 5-Fluorouracil
has exact synonym: 5-fluoropyrimidine-2,4(1H,3H)-dione
has exact synonym: 5-fluorouracil
IAO_0000115: A nucleobase analogue that is uracil in which the hydrogen at position 5 is replaced by fluorine. It is an antineoplastic agent which acts as an antimetabolite - following conversion to the active deoxynucleotide, it inhibits DNA synthesis (by blocking the conversion of deoxyuridylic acid to thymidylic acid by the cellular enzyme thymidylate synthetase) and so slows tumour growth.
has db xref: Beilstein:127172
formula: C4H3FN2O2
has db xref: CAS:51-21-8
has alternative id: CHEBI:2054
has alternative id: CHEBI:46343
id: CHEBI:46345
has db xref: DrugBank:DB00544
has db xref: Drug_Central:26
smiles: Fc1c[nH]c(=O)[nH]c1=O
has related synonym: Fluorouracil
inchikey: GHASVSINZRGABV-UHFFFAOYSA-N
has db xref: HMDB:HMDB0014684
inchi: InChI=1S/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)
has db xref: KEGG:C07649
has db xref: KEGG:D00584
has db xref: LINCS:LSM-4261
has db xref: PDBeChem:URF
has db xref: PMID:11356943
has db xref: PMID:12520460
has db xref: PMID:14769231
has db xref: PMID:19023200
has db xref: Reaxys:127172
has db xref: Wikipedia:Fluorouracil
has OBO namespace: chebi_ontology
has related synonym: fluorouracil
has related synonym: fluorouracilo
has related synonym: fluorouracilum
in subset: 3 STAR

oxo group
type: Class
subclass of: inorganic group
charge: 0
monoisotopicmass: 15.995
mass: 15.99940
has related synonym: =O
has alternative id: CHEBI:29353
has alternative id: CHEBI:44607
id: CHEBI:46629
formula: O
has exact synonym: OXO GROUP
has db xref: PDBeChem:OXO
has OBO namespace: chebi_ontology
has exact synonym: oxo
in subset: 3 STAR

diketone
type: Class
subclass of: ketone
IAO_0000115: A compound that contains two ketone functionalities.
id: CHEBI:46640
has db xref: Wikipedia:Diketone
has OBO namespace: chebi_ontology
has exact synonym: diketones
in subset: 3 STAR

mineral
type: Class
subclass of: chemical substance
id: CHEBI:46662
IAO_0000115: In general, a mineral is a chemical substance that is normally crystalline formed and has been formed as a result of geological processes. The term also includes metamict substances (naturally occurring, formerly crystalline substances whose crystallinity has been destroyed by ionising radiation) and can include naturally occurring amorphous substances that have never been crystalline ('mineraloids') such as georgite and calciouranoite as well as substances formed by the action of geological processes on bigenic compounds ('biogenic minerals').
has related synonym: Minerale
has OBO namespace: chebi_ontology
has exact synonym: mineral
has related synonym: minerales
has related synonym: minerals
has related synonym: mineraux
in subset: 3 STAR

fluorohydrocarbon
type: Class
subclass of: halohydrocarbon
subclass of: organofluorine compound
IAO_0000115: A compound derived from a hydrocarbon by replacing one or more hydrogen atoms with fluorine atoms.
id: CHEBI:46695
has related synonym: FKW
has related synonym: Fluorkohlenwasserstoffe
has related synonym: HFC
has OBO namespace: chebi_ontology
has related synonym: fluorohydrocarbons
in subset: 3 STAR

pyrrolidinemonocarboxylic acid
type: Class
subclass of: monocarboxylic acid
subclass of: pyrrolidinecarboxylic acid
id: CHEBI:46701
has OBO namespace: chebi_ontology
has related synonym: pyrrolidinemonocarboxylic acids
in subset: 3 STAR

carbonate salt
type: Class
subclass of: carbonates
subclass of: Restriction
  on property: has part
  some values from: carbonate
id: CHEBI:46721
has related synonym: carbonate salts
has OBO namespace: chebi_ontology
in subset: 3 STAR

phosphate mineral
type: Class
subclass of: mineral
id: CHEBI:46723
has OBO namespace: chebi_ontology
has related synonym: phosphate minerals
in subset: 3 STAR

dipeptide
type: Class
subclass of: oligopeptide
IAO_0000115: Any molecule that contains two amino-acid residues connected by peptide linkages.
formula: C4H6N2O3R2
has alternative id: CHEBI:23835
has alternative id: CHEBI:4634
id: CHEBI:46761
has related synonym: Dipeptid
has exact synonym: Dipeptide
has db xref: KEGG:C00107
has OBO namespace: chebi_ontology
has related synonym: dipeptides
in subset: 3 STAR

pyrrolidinecarboxylic acid
type: Class
subclass of: pyrrolidines
id: CHEBI:46767
has OBO namespace: chebi_ontology
has related synonym: pyrrolidinecarboxylic acids
in subset: 3 STAR

hydroxypyrrolidine
type: Class
subclass of: pyrrolidines
id: CHEBI:46773
has OBO namespace: chebi_ontology
has related synonym: hydroxypyrrolidines
in subset: 3 STAR

N-alkylpyrrolidine
type: Class
subclass of: pyrrolidines
subclass of: tertiary amino compound
id: CHEBI:46775
has related synonym: N-alkylpyrrolidines
has OBO namespace: chebi_ontology
in subset: 3 STAR

solvent
type: Class
subclass of: application
subclass of: chemical role
IAO_0000115: A liquid that can dissolve other substances (solutes) without any change in their chemical composition.
id: CHEBI:46787
has related synonym: Loesungsmittel
has db xref: Wikipedia:Solvent
has OBO namespace: chebi_ontology
has related synonym: solvant
has related synonym: solvents
in subset: 3 STAR

ethanethioic O-acid
type: Class
subclass of: thioacetic acid
charge: 0
monoisotopicmass: 75.998
mass: 76.11856
has db xref: Beilstein:1733298
formula: C2H4OS
smiles: CC(O)=S
id: CHEBI:46800
inchikey: DUYAAUVXQSMXQP-UHFFFAOYSA-N
has db xref: Gmelin:1216872
inchi: InChI=1S/C2H4OS/c1-2(3)4/h1H3,(H,3,4)
has OBO namespace: chebi_ontology
has exact synonym: ethanethioic O-acid
in subset: 3 STAR

urate anion
type: Class
subclass of: organic anion
IAO_0000115: An organic anion obtained by removal of at least one proton from any uric acid.
id: CHEBI:46818
has OBO namespace: chebi_ontology
has exact synonym: urate anion
in subset: 3 STAR

urate salt
type: Class
subclass of: organic salt
subclass of: Restriction
  on property: has part
  some values from: urate anion
id: CHEBI:46819
has OBO namespace: chebi_ontology
in subset: 1 STAR

sarcosinium
type: Class
subclass of: alpha-amino-acid cation
charge: +1
monoisotopicmass: 90.056
mass: 90.10116
IAO_0000115: An alpha-amino-acid cation that is the conjugate acid of sarcosine, arising from protonation of the amino group.
formula: C3H8NO2
id: CHEBI:46842
inchikey: FSYKKLYZXJSNPZ-UHFFFAOYSA-O
has db xref: Gmelin:323778
inchi: InChI=1S/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6)/p+1
smiles: [H][N+]([H])(C)CC(O)=O
has exact synonym: carboxy-N-methylmethanaminium
has OBO namespace: chebi_ontology
in subset: 3 STAR

N-arylpiperazine
type: Class
subclass of: piperazines
subclass of: aromatic amine
subclass of: tertiary amino compound
id: CHEBI:46848
has related synonym: N-arylpiperazines
has OBO namespace: chebi_ontology
in subset: 3 STAR

piperazinium salt
type: Class
subclass of: organoammonium salt
id: CHEBI:46849
has OBO namespace: chebi_ontology
has related synonym: piperazinium salts
in subset: 3 STAR

organoammonium salt
type: Class
subclass of: ammonium compound
id: CHEBI:46850
has OBO namespace: chebi_ontology
has related synonym: organoammonium salts
in subset: 3 STAR

carboxy group
type: Class
subclass of: organyl group
has related synonym: -C(O)OH
has related synonym: -CO2H
has related synonym: -COOH
charge: 0
monoisotopicmass: 44.998
mass: 45.01744
has exact synonym: CARBOXY GROUP
has alternative id: CHEBI:23025
has alternative id: CHEBI:41420
id: CHEBI:46883
formula: CHO2
has db xref: PDBeChem:CBX
has exact synonym: carboxy
has related synonym: carboxyl group
has OBO namespace: chebi_ontology
in subset: 3 STAR

oxalate(1-)
type: Class
subclass of: oxalate
subclass of: dicarboxylic acid monoanion
charge: -1
monoisotopicmass: 88.987
mass: 89.02694
IAO_0000115: A dicarboxylic acid monoanion that is the conjugate base of oxalic acid.
has db xref: Beilstein:3601755
formula: C2HO4
id: CHEBI:46904
has db xref: Gmelin:49515
has related synonym: Hox
inchi: InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)/p-1
inchikey: MUBZPKHOEPUJKR-UHFFFAOYSA-M
smiles: OC(=O)C([O-])=O
has exact synonym: carboxyformate
has OBO namespace: chebi_ontology
has related synonym: hydrogen ethanedioate
has related synonym: hydrogen oxalate
in subset: 3 STAR

ornithinium(1+)
type: Class
subclass of: alpha-amino-acid cation
charge: +1
monoisotopicmass: 133.098
mass: 133.16900
has exact synonym: 2,5-diammoniopentanoate
inchikey: AHLPHDHHMVZTML-UHFFFAOYSA-O
formula: C5H13N2O2
id: CHEBI:46912
inchi: InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/p+1
smiles: [NH3+]CCCC([NH3+])C([O-])=O
has OBO namespace: chebi_ontology
has related synonym: ornithine
has related synonym: ornithine monocation
has exact synonym: ornithinium
has exact synonym: ornithinium(1+)
in subset: 3 STAR

ornithinium(2+)
type: Class
subclass of: alpha-amino-acid cation
charge: +2
has exact synonym: 1-carboxybutane-1,4-diaminium
monoisotopicmass: 134.106
mass: 134.17694
inchikey: AHLPHDHHMVZTML-UHFFFAOYSA-P
formula: C5H14N2O2
id: CHEBI:46913
inchi: InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/p+2
smiles: [NH3+]CCCC([NH3+])C(O)=O
has OBO namespace: chebi_ontology
has related synonym: ornithine dication
has exact synonym: ornithinediium
has exact synonym: ornithinium(2+)
in subset: 3 STAR

sarcosinate
type: Class
subclass of: alpha-amino-acid anion
has exact synonym: (methylamino)acetate
charge: -1
monoisotopicmass: 88.040
mass: 88.08528
IAO_0000115: An alpha-amino-acid anion that is the conjugate base of sarcosine, arising from deprotonation of the carboxy group.
has db xref: Beilstein:3536300
formula: C3H6NO2
id: CHEBI:46915
smiles: CNCC([O-])=O
inchikey: FSYKKLYZXJSNPZ-UHFFFAOYSA-M
has db xref: Gmelin:81987
inchi: InChI=1S/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6)/p-1
has db xref: Reaxys:3536300
has OBO namespace: chebi_ontology
has exact synonym: sarcosinate
in subset: 3 STAR

2-aminooctadecene-1,3-diol
type: Class
subclass of: aminodiol
subclass of: sphingoid
has exact synonym: 2-aminooctadecene-1,3-diol
has related synonym: 2-aminooctadecene-1,3-diols
IAO_0000115: An aminodiol composed of any octadecene having hydroxy functional groups at positions 1 and 3 and an amino substituent at position 2.
formula: C18H37NO2
id: CHEBI:46963
has OBO namespace: chebi_ontology
in subset: 3 STAR

2-aminooctadec-4-ene-1,3-diol
type: Class
subclass of: 2-aminooctadecene-1,3-diol
charge: 0
has exact synonym: 2-aminooctadec-4-ene-1,3-diol
has related synonym: 2-aminooctadec-4-ene-1,3-diols
monoisotopicmass: 299.282
mass: 299.49192
IAO_0000115: A 2-aminooctadecene-1,3-diol having its double bond at position 4.
formula: C18H37NO2
id: CHEBI:46964
inchi: InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3
inchikey: WWUZIQQURGPMPG-UHFFFAOYSA-N
smiles: [H]C(CCCCCCCCCCCCC)=C([H])C(O)C(N)CO
has OBO namespace: chebi_ontology
in subset: 3 STAR

(2R,3S)-2-aminooctadec-4-ene-1,3-diol
type: Class
subclass of: 2-aminooctadec-4-ene-1,3-diol
has exact synonym: (2R,3S)-2-aminooctadec-4-ene-1,3-diol
charge: 0
monoisotopicmass: 299.282
mass: 299.49192
IAO_0000115: A 2-aminooctadec-4-ene-1,3-diol having (2R,3S)-configuration.
has db xref: Beilstein:8112208
formula: C18H37NO2
id: CHEBI:46965
inchi: InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3/t17-,18+/m1/s1
has db xref: Reaxys:8112208
inchikey: WWUZIQQURGPMPG-MSOLQXFVSA-N
has OBO namespace: chebi_ontology
in subset: 3 STAR

L-erythro-sphingosine
type: Class
subclass of: (2R,3S)-2-aminooctadec-4-ene-1,3-diol
has exact synonym: (2R,3S,4E)-2-aminooctadec-4-ene-1,3-diol
charge: 0
monoisotopicmass: 299.282
mass: 299.49190
IAO_0000115: A (2R,3S)-2-aminooctadec-4-ene-1,3-diol in which the double bond has E geochemistry.
has db xref: Beilstein:4352185
formula: C18H37NO2
has db xref: CAS:6036-75-5
smiles: CCCCCCCCCCCCC\C=C\[C@H](O)[C@H](N)CO
id: CHEBI:46967
has alternative id: CHEBI:78744
inchi: InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3/b15-14+/t17-,18+/m1/s1
has related synonym: L-Erythro-c18-sphingosine
has related synonym: L-erythro-sphing-4-enine
has db xref: Reaxys:10777443
inchikey: WWUZIQQURGPMPG-MCXRAWCPSA-N
has OBO namespace: chebi_ontology
in subset: 3 STAR

L-ribose
type: Class
subclass of: ribose
IAO_0000115: A ribose in which the chiral carbon atom furthest away from the aldehyde group (C4') has the same configuration as in L-glyceraldehyde.
formula: C5H10O5
id: CHEBI:46997
has related synonym: L-Rib
has exact synonym: L-ribo-pentose
has exact synonym: L-ribose
has OBO namespace: chebi_ontology
in subset: 3 STAR

ribofuranose
type: Class
subclass of: ribose
charge: 0
mass: 150.12990
IAO_0000115: A cyclic ribose having a 5-membered tetrahydrofuran ring; the predominant (C3'-endo) form of the two cyclic structures (the other is the "C2'-endo" form, having a 6-membered ring) adopted by ribose in aqueous solution.
formula: C5H10O5
id: CHEBI:46998
has OBO namespace: chebi_ontology
has related synonym: rel-(3R,4S,5R)-5-(hydroxymethyl)tetrahydrofuran-2,3,4-triol
has exact synonym: ribofuranose
in subset: 3 STAR

D-ribofuranose
type: Class
subclass of: D-ribose
subclass of: ribofuranose
has related synonym: (3R,4S,5R)-5-(hydroxymethyl)tetrahydrofuran-2,3,4-triol
charge: 0
monoisotopicmass: 150.053
mass: 150.12990
IAO_0000115: A ribofuranose having D-configuration.
has db xref: Beilstein:1904878
formula: C5H10O5
has db xref: CAS:50-69-1
has alternative id: CHEBI:4233
has alternative id: CHEBI:46999
id: CHEBI:47013
has related synonym: D-Ribose
has exact synonym: D-ribofuranose
has related synonym: D-ribose
has db xref: Gmelin:364108
inchikey: HMFHBZSHGGEWLO-SOOFDHNKSA-N
inchi: InChI=1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4-,5?/m1/s1
has db xref: KEGG:C00121
smiles: OC[C@H]1OC(O)[C@H](O)[C@@H]1O
has db xref: PMID:9506998
has db xref: Patent:US2152662
has db xref: Reaxys:1904878
has OBO namespace: chebi_ontology
has related synonym: ribose
in subset: 3 STAR

tetrahydrofuranol
type: Class
subclass of: oxolanes
id: CHEBI:47017
has OBO namespace: chebi_ontology
has related synonym: tetrahydrofuranols
in subset: 3 STAR

dihydroxytetrahydrofuran
type: Class
subclass of: tetrahydrofuranol
id: CHEBI:47019
has OBO namespace: chebi_ontology
has related synonym: dihydroxytetrahydrofurans
in subset: 3 STAR

hydroxycalciol
type: Class
subclass of: hydroxy seco-steroid
id: CHEBI:47042
has OBO namespace: chebi_ontology
has exact synonym: hydroxycalciol
has related synonym: hydroxycalciols
has related synonym: hydroxycholecalciferol
has related synonym: hydroxycholecalciferols
in subset: 3 STAR

hydrogen bromide
type: Class
subclass of: gas molecular entity
subclass of: hydrogen halide
subclass of: mononuclear parent hydride
charge: 0
monoisotopicmass: 79.926
mass: 80.91194
IAO_0000115: A diatomic molecule containing covalently bonded hydrogen and bromine atoms.
formula: BrH
smiles: Br[H]
has related synonym: Bromwasserstoff
has db xref: CAS:10035-10-6
has alternative id: CHEBI:29134
has alternative id: CHEBI:31673
id: CHEBI:47266
inchikey: CPELXLSAUQHCOX-UHFFFAOYSA-N
has db xref: Gmelin:620
formula: HBr
has related synonym: HBr
has related synonym: Hydrobromic acid
has related synonym: Hydrogenbromid
inchi: InChI=1S/BrH/h1H
has db xref: KEGG:C13645
has related synonym: [HBr]
has exact synonym: bromane
has exact synonym: bromidohydrogen
has related synonym: bromure d'hydrogene
has OBO namespace: chebi_ontology
has exact synonym: hydrogen bromide
in subset: 3 STAR

imipramine
type: Class
subclass of: dibenzoazepine
charge: 0
has related synonym: 10,11-dihydro-N,N-dimethyl-5H-dibenz[b,f]azepine-5-propanamine
monoisotopicmass: 280.194
mass: 280.40734
has exact synonym: 3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N-dimethylpropan-1-amine
has related synonym: 3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE
has related synonym: 5-[3-(dimethylamino)propyl]-10,11-dihydro-5H-dibenz[b,f]azepine
IAO_0000115: A dibenzoazepine that is 5H-dibenzo[b,f]azepine substituted by a 3-(dimethylamino)propyl group at the nitrogen atom.
has related synonym: Antideprin
inchikey: BCGWQEUPMDMJNV-UHFFFAOYSA-N
has db xref: Beilstein:256892
formula: C19H24N2
has db xref: CAS:50-49-7
has alternative id: CHEBI:47498
id: CHEBI:47499
has alternative id: CHEBI:5881
smiles: CN(C)CCCN1c2ccccc2CCc2ccccc12
has db xref: DrugBank:DB00458
has db xref: Drug_Central:1427
has db xref: Gmelin:1572523
has db xref: HMDB:HMDB0001848
has related synonym: Imipramin
has exact synonym: Imipramine
inchi: InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3
has related synonym: Irmin
has db xref: KEGG:C07049
has db xref: KEGG:D08070
has db xref: LINCS:LSM-2852
has related synonym: Melipramine
has related synonym: N-(gamma-dimethylaminopropyl)iminodibenzyl
has db xref: PDBeChem:IXX
has db xref: PMID:20825390
has db xref: Patent:US2554736
has db xref: Reaxys:256892
has db xref: Wikipedia:Imipramine
has OBO namespace: chebi_ontology
has related synonym: imipramine
has related synonym: imipraminum
has related synonym: imizine
in subset: 3 STAR

acetate ester
type: Class
subclass of: carboxylic ester
charge: 0
monoisotopicmass: 59.013
mass: 59.04400
has related synonym: Acetic ester
has related synonym: Acetyl ester
IAO_0000115: Any carboxylic ester where the carboxylic acid component is acetic acid.
formula: C2H3O2R
smiles: CC(=O)O[*]
has alternative id: CHEBI:13244
has alternative id: CHEBI:13799
has alternative id: CHEBI:22189
has alternative id: CHEBI:2406
id: CHEBI:47622
has db xref: KEGG:C01883
has db xref: Wikipedia:Acetate#Esters
has related synonym: acetate
has related synonym: acetate esters
has related synonym: acetates
has related synonym: acetyl esters
has related synonym: an acetyl ester
has OBO namespace: chebi_ontology
in subset: 3 STAR

ammonium salt
type: Class
subclass of: ammonium compound
subclass of: Restriction
  on property: has part
  some values from: ammonium
has related synonym: Ammoniumsalz
has related synonym: Ammoniumsalze
id: CHEBI:47704
has exact synonym: ammonium salt
has related synonym: ammonium salts
has OBO namespace: chebi_ontology
in subset: 3 STAR

very-low-density lipoprotein cholesterol
type: Class
subclass of: lipoprotein cholesterol
id: CHEBI:47773
IAO_0000115: Cholesterol esters and free cholesterol which are contained in or bound to very low density lipoproteins (VLDL).
has related synonym: VLDL cholesterol
has related synonym: VLDL-C
has OBO namespace: chebi_ontology
has related synonym: pre-beta-lipoprotein cholesterol
in subset: 3 STAR

low-density lipoprotein cholesterol
type: Class
subclass of: lipoprotein cholesterol
id: CHEBI:47774
IAO_0000115: Cholesterol esters and free cholesterol which are contained in or bound to low-density lipoproteins (LDL).
has related synonym: LDL cholesterol
has related synonym: LDL-C
has related synonym: beta-lipoprotein cholesterol
has OBO namespace: chebi_ontology
in subset: 3 STAR

high-density lipoprotein cholesterol
type: Class
subclass of: lipoprotein cholesterol
id: CHEBI:47775
IAO_0000115: Cholesterol esters and free cholesterol which are contained in or bound to high-density lipoproteins (HDL).
has related synonym: HDL cholesterol
has related synonym: HDL-C
has related synonym: alpha-lipoprotein cholesterol
has OBO namespace: chebi_ontology
in subset: 3 STAR

very-low-density lipoprotein triglyceride
type: Class
subclass of: triglyceride
id: CHEBI:47776
IAO_0000115: Triglycerides which are contained in very low density lipoproteins (VLDL).
has related synonym: VLDL triacylglycerol
has related synonym: VLDL triglyceride
has OBO namespace: chebi_ontology
has related synonym: very-low-density lipoprotein triglycerides
in subset: 3 STAR

glyceride
type: Class
subclass of: carboxylic ester
subclass of: glycerolipid
IAO_0000115: Any ester resulting from the condensation of one or more of the hydroxy groups of glycerol (propane-1,2,3-triol) with fatty acids.
has alternative id: CHEBI:13730
has alternative id: CHEBI:22230
id: CHEBI:47778
has related synonym: acylglycerol
has related synonym: acylglycerols
has OBO namespace: chebi_ontology
has exact synonym: glyceride
has related synonym: glycerides
has exact synonym: glycerides
in subset: 3 STAR

3-oxo steroid
type: Class
subclass of: oxo steroid
subclass of: cyclic ketone
charge: 0
monoisotopicmass: 273.222
mass: 273.434
has related synonym: 3-Oxosteroid
has related synonym: 3-oxo steroids
has related synonym: 3-oxosteroids
IAO_0000115: Any oxo steroid where an oxo substituent is located at position 3.
formula: C19H29OR
has alternative id: CHEBI:13607
has alternative id: CHEBI:1653
has alternative id: CHEBI:20182
id: CHEBI:47788
has alternative id: CHEBI:71186
has db xref: KEGG:C01876
has db xref: MetaCyc:3-Oxosteroids
has db xref: PMID:9811880
has related synonym: a 3-oxosteroid
has OBO namespace: chebi_ontology
in subset: 3 STAR

5H-dibenzo[b,f]azepine
type: Class
subclass of: mancude organic heterotricyclic parent
subclass of: dibenzoazepine
charge: 0
monoisotopicmass: 193.089
mass: 193.24388
has related synonym: 2,2'-iminostilbene
has related synonym: 2,3,6,7-dibenzazepine
has related synonym: 5H-Dibenz[b,f]azepin
has related synonym: 5H-dibenz[b,f]azepine
has related synonym: 5H-dibenzazepine
has exact synonym: 5H-dibenzo[b,f]azepine
IAO_0000115: A mancude organic heterotricyclic parent that consists of a seven-membered nitrogen hetrocycle fused with two benzene rings.
has db xref: Beilstein:1343358
formula: C14H11N
has db xref: CAS:256-96-2
id: CHEBI:47802
inchi: InChI=1S/C14H11N/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)15-13/h1-10,15H
inchikey: LCGTWRLJTMHIQZ-UHFFFAOYSA-N
smiles: N1c2ccccc2C=Cc2ccccc12
has db xref: PMID:22322005
has db xref: PMID:24358274
has db xref: Reaxys:1343358
has db xref: Wikipedia:Dibenzazepine
has OBO namespace: chebi_ontology
has related synonym: dibenz(b,f)azepine
has related synonym: dibenzazepine
has related synonym: iminostilbene
has related synonym: o,o'-iminostilbene
in subset: 3 STAR

dibenzoazepine
type: Class
subclass of: organic heterotricyclic compound
subclass of: organonitrogen heterocyclic compound
id: CHEBI:47804
has OBO namespace: chebi_ontology
has related synonym: dibenzazepine
has exact synonym: dibenzoazepine
has related synonym: dibenzoazepines
in subset: 3 STAR

emetine
type: Class
subclass of: isoquinoline alkaloid
subclass of: pyridoisoquinoline
charge: 0
monoisotopicmass: 480.299
mass: 480.63898
has exact synonym: 6',7',10,11-tetramethoxyemetan
IAO_0000115: A pyridoisoquinoline comprising emetam having methoxy substituents at the 6'-, 7'-, 10- and 11-positions.
inchikey: AUVVAXYIELKVAI-CKBKHPSWSA-N
has db xref: Beilstein:100834
has db xref: Beilstein:6253162
formula: C29H40N2O4
has db xref: CAS:483-18-1
id: CHEBI:4781
has db xref: Drug_Central:1001
has related synonym: Emetan
has related synonym: Emetin
has exact synonym: Emetine
inchi: InChI=1S/C29H40N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3/t18-,21-,24+,25-/m0/s1
has db xref: KEGG:C09421
has db xref: KNApSAcK:C00001849
has db xref: LINCS:LSM-2041
has db xref: MetaCyc:CPD-14817
has db xref: PMID:16109351
has db xref: PMID:17094176
has db xref: Reaxys:100834
has db xref: Wikipedia:Emetine
has related synonym: cephaeline methyl ether
has OBO namespace: chebi_ontology
has related synonym: methyl cephaeline
in subset: 3 STAR

ureas
type: Class
subclass of: primary amide
has alternative id: CHEBI:27220
has alternative id: CHEBI:36947
id: CHEBI:47857
has OBO namespace: chebi_ontology
has related synonym: urea derivatives
in subset: 3 STAR

indicator
type: Class
subclass of: application
IAO_0000115: Anything used in a scientific experiment to indicate the presence of a substance or quality, change in a body, etc.
id: CHEBI:47867
has related synonym: Indikator
has OBO namespace: chebi_ontology
in subset: 3 STAR

photosensitizing agent
type: Class
subclass of: drug
IAO_0000115: A chemical compound that can be excited by light of a specific wavelength and subsequently transfer energy to a chosen reactant. This is commonly molecular oxygen within a cancer tissue, which is converted to (highly rective) singlet state oxygen. This rapidly reacts with any nearby biomolecules, ultimately killing the cancer cells.
id: CHEBI:47868
has OBO namespace: chebi_ontology
has related synonym: photosensitising agent
in subset: 3 STAR

steroid ester
type: Class
subclass of: steroid
subclass of: ester
has alternative id: CHEBI:26762
id: CHEBI:47880
has db xref: KEGG:C15506
has OBO namespace: chebi_ontology
has related synonym: steroid esters
in subset: 3 STAR

cyclic polypyrrole
type: Class
subclass of: polypyrrole
id: CHEBI:47882
has OBO namespace: chebi_ontology
has related synonym: cyclic polypyrroles
has exact synonym: macrocyclic polypyrroles
has related synonym: polypyrrole macrocycles
in subset: 3 STAR

steroid acid
type: Class
subclass of: steroid
subclass of: organic acid
IAO_0000115: Any steroid substituted by at least one carboxy group.
id: CHEBI:47891
has OBO namespace: chebi_ontology
has related synonym: steroid acids
in subset: 3 STAR

alkanesulfonic acid
type: Class
subclass of: organosulfonic acid
subclass of: Restriction
  on property: has part
  some values from: alkyl group
has alternative id: CHEBI:13809
has alternative id: CHEBI:33553
id: CHEBI:47901
IAO_0000115: Organic derivatives of sulfonic acid in which the sulfo group is linked directly to carbon of an alkyl group.
has exact synonym: alkanesulfonic acid
has related synonym: alkanesulfonic acids
has related synonym: alkylsulfonic acids
has OBO namespace: chebi_ontology
in subset: 3 STAR

3-oxo-Delta(4) steroid
type: Class
subclass of: 3-oxo steroid
subclass of: enone
subclass of: Restriction
  on property: has part
  some values from: 3-oxo-Delta(4)-steroid group
charge: 0
monoisotopicmass: 271.206
mass: 271.418
has related synonym: 3-Oxo-delta4-steroid
has related synonym: 3-oxo Delta(4)-steroid
has related synonym: 3-oxo Delta(4)-steroids
has related synonym: 3-oxo-Delta(4) steroids
IAO_0000115: A 3-oxo steroid conjugated to a C=C double bond at the alpha,beta position.
formula: C19H27OR
has alternative id: CHEBI:13604
has alternative id: CHEBI:1626
has alternative id: CHEBI:20157
id: CHEBI:47909
has db xref: KEGG:C00619
has db xref: MetaCyc:3-Oxo-Delta-4-Steroids
has related synonym: a 3-oxo-Delta(4)-steroid
has OBO namespace: chebi_ontology
in subset: 3 STAR

enflurane
type: Class
subclass of: ether
subclass of: organochlorine compound
subclass of: organofluorine compound
charge: 0
monoisotopicmass: 183.971
mass: 184.49210
has related synonym: 2-chloro-1,1,2-trifluoroethyl difluoromethyl ether
has exact synonym: 2-chloro-1-(difluoromethoxy)-1,1,2-trifluoroethane
has related synonym: Alyrane
IAO_0000115: An ether in which the oxygen atom is connected to 2-chloro-1,1,2-trifluoroethyl and difluoromethyl groups.
has db xref: Beilstein:1903921
formula: C3H2ClF5O
has db xref: CAS:13838-16-9
id: CHEBI:4792
has db xref: DrugBank:DB00228
has db xref: Drug_Central:1009
has related synonym: Efrane
has exact synonym: Enflurane
has related synonym: Ethrane
smiles: FC(F)OC(F)(F)C(F)Cl
has db xref: HMDB:HMDB0014373
inchi: InChI=1S/C3H2ClF5O/c4-1(5)3(8,9)10-2(6)7/h1-2H
inchikey: JPGQOUSTVILISH-UHFFFAOYSA-N
has db xref: KEGG:C07516
has db xref: KEGG:D00543
has related synonym: Methylflurether
has db xref: PMID:23934553
has db xref: PMID:25386744
has db xref: PMID:7457058
has db xref: Patent:AU2014277860
has db xref: Patent:US5783199
has db xref: Reaxys:1903921
has db xref: Wikipedia:Enflurane
has OBO namespace: chebi_ontology
in subset: 3 STAR

tripeptide
type: Class
subclass of: oligopeptide
IAO_0000115: Any molecule that contains three amino-acid residues connected by peptide linkages.
formula: C6H8N3O4R3
has alternative id: CHEBI:27138
id: CHEBI:47923
has alternative id: CHEBI:9742
has db xref: KEGG:C00316
has exact synonym: Tripeptide
has OBO namespace: chebi_ontology
has related synonym: tripeptides
in subset: 3 STAR

nicotinic acetylcholine receptor agonist
type: Class
subclass of: cholinergic agonist
IAO_0000115: An agonist that selectively binds to and activates a nicotinic acetylcholine receptor.
id: CHEBI:47958
has alternative id: CHEBI:82738
has db xref: Wikipedia:Nicotinic_acetylcholine_receptor
has OBO namespace: chebi_ontology
has related synonym: muscarinic agonists
has related synonym: nicotinic acetylcholine receptor agonists
has related synonym: nicotinic agonist
has related synonym: nicotinic agonists
in subset: 3 STAR

sulfur oxide
type: Class
subclass of: inorganic oxide
subclass of: sulfur molecular entity
id: CHEBI:48154
has related synonym: Schwefeloxide
has OBO namespace: chebi_ontology
has related synonym: oxides of sulfur
has related synonym: sulfur oxides
in subset: 3 STAR

fucopyranose
type: Class
subclass of: fucose
has exact synonym: 6-deoxygalactopyranose
formula: C6H12O5
id: CHEBI:48206
has OBO namespace: chebi_ontology
has exact synonym: fucopyranose
in subset: 3 STAR

antiseptic drug
type: Class
subclass of: antiinfective agent
IAO_0000115: A substance used locally on humans and other animals to destroy harmful microorganisms or to inhibit their activity (cf. disinfectants, which destroy microorganisms found on non-living objects, and antibiotics, which can be transported through the lymphatic system to destroy bacteria within the body).
id: CHEBI:48218
has db xref: Wikipedia:Antiseptic
has related synonym: antiseptic
has related synonym: antiseptic agent
has related synonym: antiseptic agents
has related synonym: antiseptics
has OBO namespace: chebi_ontology
has related synonym: local antiinfective agents
has related synonym: local microbicides
has related synonym: topical antiinfective agents
has related synonym: topical microbicides
in subset: 3 STAR

disinfectant
type: Class
subclass of: antimicrobial agent
IAO_0000115: An antimicrobial agent that is applied to non-living objects to destroy harmful microorganisms or to inhibit their activity.
id: CHEBI:48219
has related synonym: Desinfektionsmittel
has OBO namespace: chebi_ontology
has related synonym: desinfectant
has related synonym: disinfectants
has related synonym: disinfecting agent
in subset: 3 STAR

serotonergic drug
type: Class
subclass of: neurotransmitter agent
id: CHEBI:48278
has OBO namespace: chebi_ontology
has related synonym: serotonergic agents
has related synonym: serotonergic drugs
has related synonym: serotonin drugs
in subset: 3 STAR

serotonergic antagonist
type: Class
subclass of: serotonergic drug
has related synonym: 5-HT antagonists
has related synonym: 5-hydroxytryptamine antagonists
id: CHEBI:48279
IAO_0000115: Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic agonists.
has related synonym: antiserotonergic agents
has OBO namespace: chebi_ontology
has related synonym: serotonin antagonists
has related synonym: serotonin blockaders
in subset: 3 STAR

butane-1,2,3,4-tetrol
type: Class
subclass of: tetritol
charge: 0
has related synonym: 1,2,3,4-tetrahydroxybutane
monoisotopicmass: 122.058
mass: 122.11980
IAO_0000115: A tetritol that is butane substituted by hydroxy groups at positions 1, 2, 3 and 4.
has db xref: Beilstein:1735878
formula: C4H10O4
has db xref: CAS:149-32-6
has db xref: CAS:7541-59-5
id: CHEBI:48299
has related synonym: Erythrite
has related synonym: Erythrol
inchi: InChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2
has db xref: KEGG:C00503
has db xref: KEGG:D08915
has db xref: KNApSAcK:C00001161
smiles: OCC(O)C(O)CO
has related synonym: Phycite
has related synonym: Phycitol
has db xref: Reaxys:1735878
inchikey: UNXHWFMMPAWVPI-UHFFFAOYSA-N
has exact synonym: butane-1,2,3,4-tetrol
has OBO namespace: chebi_ontology
in subset: 3 STAR

D-threitol
type: Class
subclass of: threitol
has exact synonym: (2R,3R)-butane-1,2,3,4-tetrol
charge: 0
monoisotopicmass: 122.058
mass: 122.11980
has db xref: Beilstein:1719752
has db xref: Beilstein:5725952
formula: C4H10O4
has db xref: CAS:2418-52-2
has db xref: CAS:7493-90-5
id: CHEBI:48300
has exact synonym: D-threitol
has related synonym: D-threo-tetritol
has db xref: DrugBank:DB03278
has db xref: Gmelin:1782960
has db xref: HMDB:HMDB0004136
inchi: InChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2/t3-,4-/m1/s1
has db xref: KEGG:C16884
has db xref: MetaCyc:CPD-12825
smiles: OC[C@@H](O)[C@H](O)CO
has db xref: PDBeChem:DTL
has db xref: PMID:1596913
has db xref: PMID:16748290
has db xref: PMID:16901854
has db xref: PMID:17577890
has db xref: PMID:17979222
has db xref: PMID:18863753
has db xref: PMID:22735334
has db xref: PMID:24643482
has db xref: PMID:25108762
has db xref: PMID:5855592
has db xref: PMID:6368527
has db xref: PMID:908147
has db xref: Reaxys:1719752
IAO_0000115: The D-enantiomer of threitol.
inchikey: UNXHWFMMPAWVPI-QWWZWVQMSA-N
has db xref: Wikipedia:Threitol
has OBO namespace: chebi_ontology
in subset: 3 STAR

disulfide
type: Class
subclass of: sulfur molecular entity
id: CHEBI:48343
IAO_0000115: Compounds of structure RSSR'.
has OBO namespace: chebi_ontology
has related synonym: disulfides
in subset: 3 STAR

polar solvent
type: Class
subclass of: solvent
IAO_0000115: A solvent that is composed of polar molecules. Polar solvents can dissolve ionic compounds or ionisable covalent compounds.
id: CHEBI:48354
has OBO namespace: chebi_ontology
has exact synonym: polar solvent
has related synonym: polar solvents
in subset: 3 STAR

non-polar solvent
type: Class
subclass of: solvent
id: CHEBI:48355
has OBO namespace: chebi_ontology
in subset: 1 STAR

protic solvent
type: Class
subclass of: Bronsted acid
subclass of: polar solvent
IAO_0000115: A polar solvent that is capable of acting as a hydron (proton) donor.
id: CHEBI:48356
has OBO namespace: chebi_ontology
has exact synonym: protogenic solvent
in subset: 3 STAR

aprotic solvent
type: Class
subclass of: solvent
id: CHEBI:48357
has OBO namespace: chebi_ontology
in subset: 1 STAR

polar aprotic solvent
type: Class
subclass of: polar solvent
subclass of: aprotic solvent
IAO_0000115: A solvent with a comparatively high relative permittivity (or dielectric constant), greater than ca. 15, and a sizable permanent dipole moment, that cannot donate suitably labile hydrogen atoms to form strong hydrogen bonds.
id: CHEBI:48358
has OBO namespace: chebi_ontology
has exact synonym: dipolar aprotic solvent
in subset: 3 STAR

protophilic solvent
type: Class
subclass of: Bronsted base
subclass of: polar solvent
id: CHEBI:48359
has OBO namespace: chebi_ontology
in subset: 1 STAR

amphiprotic solvent
type: Class
subclass of: protic solvent
subclass of: protophilic solvent
id: CHEBI:48360
has OBO namespace: chebi_ontology
in subset: 1 STAR

carbamimidic acid
type: Class
subclass of: isourea
subclass of: one-carbon compound
charge: 0
monoisotopicmass: 60.032
mass: 60.05534
has db xref: Beilstein:773698
has db xref: CAS:4744-36-9
formula: CH4N2O
id: CHEBI:48376
has related synonym: H2N-C(=NH)-OH
has related synonym: H2N-C(OH)=NH
has related synonym: HO-C(=NH)-NH2
inchi: InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)
has related synonym: Isoharnstoff
smiles: NC(O)=N
inchikey: XSQUKJJJFZCRTK-UHFFFAOYSA-N
has related synonym: carbamimic acid
has exact synonym: carbamimidic acid
has related synonym: carbonamidimidic acid
has OBO namespace: chebi_ontology
has related synonym: isourea
has related synonym: pseudourea
in subset: 3 STAR

imidic acid
type: Class
subclass of: oxoacid derivative
subclass of: nitrogen molecular entity
id: CHEBI:48377
IAO_0000115: Compounds derived from oxoacids RkE(=O)l(OH)m (l =/= 0) by replacing =O by =NR; thus tautomers of amides. In organic chemistry an unspecified imidic acid is generally a carboximidic acid, RC(=NR)(OH).
has OBO namespace: chebi_ontology
has exact synonym: imidic acid
has exact synonym: imidic acids
has related synonym: imidic acids
has related synonym: imino acids
in subset: 3 STAR

carboximidic acid
type: Class
subclass of: organonitrogen compound
subclass of: imidic acid
id: CHEBI:48378
has exact synonym: carboximidic acid
has related synonym: carboximidic acids
has exact synonym: carboximidic acids
has OBO namespace: chebi_ontology
in subset: 3 STAR

isourea
type: Class
subclass of: carboximidic acid
IAO_0000115: A carboximidic acid that is the imidic acid tautomer of urea, H2NC(=NH)OH, and its hydrocarbyl derivatives.
id: CHEBI:48379
has OBO namespace: chebi_ontology
has exact synonym: isoureas
has related synonym: isoureas
in subset: 3 STAR

CHEBI_48505
type: Class
deprecated: true
IAO_0100001: ribitol
IAO_0000231: IAO_0000227

alpha-adrenergic drug
type: Class
subclass of: adrenergic agent
IAO_0000115: Any drug that acts on an alpha-adrenergic receptor.
id: CHEBI:48539
has related synonym: alpha-adrenergic drugs
has OBO namespace: chebi_ontology
in subset: 3 STAR

beta-adrenergic drug
type: Class
subclass of: adrenergic agent
IAO_0000115: Any of the drugs that act on beta-adrenergic receptors.
id: CHEBI:48540
has related synonym: beta-adrenergic drugs
has OBO namespace: chebi_ontology
in subset: 3 STAR

methanesulfonates
type: Class
subclass of: organosulfur compound
id: CHEBI:48544
IAO_0000115: Esters or salts of methanesulfonic acid.
has OBO namespace: chebi_ontology
in subset: 3 STAR

dopaminergic agent
type: Class
subclass of: neurotransmitter agent
IAO_0000115: A drug used for its effects on dopamine receptors, on the life cycle of dopamine, or on the survival of dopaminergic neurons.
id: CHEBI:48560
has OBO namespace: chebi_ontology
has related synonym: dopamine agent
has related synonym: dopamine agents
has related synonym: dopamine drug
has related synonym: dopamine drugs
has related synonym: dopaminergic agents
in subset: 3 STAR

radical scavenger
type: Class
subclass of: antioxidant
IAO_0000115: A role played by a substance that can react readily with, and thereby eliminate, radicals.
id: CHEBI:48578
has OBO namespace: chebi_ontology
has related synonym: free radical scavengers
has related synonym: free-radical scavenger
in subset: 3 STAR

agonist
type: Class
subclass of: pharmacological role
id: CHEBI:48705
IAO_0000115: Substance which binds to cell receptors normally responding to naturally occurring substances and which produces a response of its own.
has exact synonym: agonist
has related synonym: agonista
has related synonym: agoniste
has related synonym: agonists
has OBO namespace: chebi_ontology
in subset: 3 STAR

antagonist
type: Class
subclass of: pharmacological role
id: CHEBI:48706
IAO_0000115: Substance that attaches to and blocks cell receptors that normally bind naturally occurring substances.
has exact synonym: antagonist
has related synonym: antagonista
has related synonym: antagoniste
has related synonym: antagonists
has OBO namespace: chebi_ontology
in subset: 3 STAR

sulfurous acid
type: Class
subclass of: sulfur oxoacid
charge: 0
monoisotopicmass: 81.972
mass: 82.08008
has db xref: CAS:7782-99-2
has alternative id: CHEBI:26837
id: CHEBI:48854
has alternative id: CHEBI:9344
has db xref: Gmelin:1458
formula: H2O3S
has related synonym: H2SO3
inchi: InChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3)
has db xref: KEGG:C00094
has db xref: KNApSAcK:C00019662
inchikey: LSNNMFCWUKXFEE-UHFFFAOYSA-N
smiles: OS(O)=O
has db xref: PDBeChem:SO3
has related synonym: S(O)(OH)2
has related synonym: Sulfite
has exact synonym: Sulfurous acid
has db xref: UM-BBD_compID:c0348
has related synonym: [SO(OH)2]
has related synonym: acide sulfureux
has related synonym: acido sulfuroso
has OBO namespace: chebi_ontology
has exact synonym: dihydrogen trioxosulfate
has exact synonym: dihydroxidooxidosulfur
has related synonym: schweflige Saeure
has exact synonym: sulfurous acid
has related synonym: sulphurous acid
has exact synonym: trioxosulfuric acid
in subset: 3 STAR

cholinergic antagonist
type: Class
subclass of: cholinergic drug
has related synonym: Anticholinergika
has related synonym: Anticholinergikum
IAO_0000115: Any drug that binds to but does not activate cholinergic receptors, thereby blocking the actions of acetylcholine or cholinergic agonists.
id: CHEBI:48873
has related synonym: acetylcholine antagonists
has related synonym: acetylcholine receptor antagonist
has related synonym: agent anticholinergique
has related synonym: agente anticolinergico
has related synonym: agentes anticolinergicos
has related synonym: anticholinergic agents
has related synonym: anticholinergics
has related synonym: anticholinergiques
has related synonym: anticolinergicos
has OBO namespace: chebi_ontology
has related synonym: cholinergic-blocking agents
in subset: 3 STAR

thiazoles
type: Class
subclass of: organosulfur heterocyclic compound
subclass of: azole
IAO_0000115: An azole in which the five-membered heterocyclic aromatic skeleton contains a N atom and one S atom.
id: CHEBI:48901
has OBO namespace: chebi_ontology
has related synonym: thiazole
in subset: 3 STAR

N-acyl-L-alpha-amino acid
type: Class
subclass of: N-acyl-L-amino acid
charge: 0
monoisotopicmass: 101.011
mass: 101.061
IAO_0000115: Any L-alpha-amino acid carrying an N-acyl substituent.
formula: C3H3NO3R2
has alternative id: CHEBI:13240
id: CHEBI:48927
has alternative id: CHEBI:7232
has db xref: KEGG:C02850
has related synonym: N-Acyl-L-amino acid
has OBO namespace: chebi_ontology
in subset: 3 STAR

phytane
type: Class
subclass of: diterpene
charge: 0
has exact synonym: 2,6,10,14-tetramethylhexadecane
monoisotopicmass: 282.329
mass: 282.54748
has db xref: Beilstein:1744639
formula: C20H42
has db xref: CAS:638-36-8
smiles: CCC(C)CCCC(C)CCCC(C)CCCC(C)C
id: CHEBI:48937
inchikey: GGYKPYDKXLHNTI-UHFFFAOYSA-N
inchi: InChI=1S/C20H42/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3/h17-20H,7-16H2,1-6H3
has related synonym: Phytan
has OBO namespace: chebi_ontology
in subset: 3 STAR

isobutyrate
type: Class
subclass of: branched-chain saturated fatty acid anion
subclass of: fatty acid anion 4:0
charge: -1
has exact synonym: 2-methylpropanoate
has related synonym: 2-methylpropanoate
has related synonym: 2-methylpropanoic acid, ion(1-)
has related synonym: 2-methylpropionate
monoisotopicmass: 87.045
mass: 87.09718
IAO_0000115: A branched, short-chain, saturated fatty acid anion; the conjugate base of isobutyric acid, formed by deprotonation of the carboxylic acid group.
has db xref: Beilstein:3903644
formula: C4H7O2
has db xref: CAS:5711-69-3
smiles: CC(C)C([O-])=O
has alternative id: CHEBI:11627
has alternative id: CHEBI:25334
id: CHEBI:48944
has db xref: Gmelin:324364
inchi: InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)/p-1
has related synonym: Isobutyrat
inchikey: KQNPFQTWMSNSAP-UHFFFAOYSA-M
has db xref: MetaCyc:ISOBUTYRATE
has db xref: Reaxys:3903644
has db xref: UM-BBD_compID:c0383
has OBO namespace: chebi_ontology
has related synonym: i-butyrate
has related synonym: iPrCO2 anion
has related synonym: isobutanoate
has related synonym: isobutyric acid anion
has related synonym: methylpropanoate
in subset: 3 STAR

4-hydroxyphenylacetate
type: Class
subclass of: monocarboxylic acid anion
has exact synonym: (4-hydroxyphenyl)acetate
has related synonym: (p-hydroxyphenyl)acetate
charge: -1
monoisotopicmass: 151.040
mass: 151.13938
has related synonym: 2-(4-hydroxyphenyl)ethanoate
has related synonym: 4-hydroxybenzeneacetate
has exact synonym: 4-hydroxyphenylacetate
IAO_0000115: A monocarboxylic acid anion that is obtained by removal of a proton from the carboxylic acid group of 4-hydroxyphenylacetic acid.
formula: C8H7O3
id: CHEBI:48999
inchi: InChI=1S/C8H8O3/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11)/p-1
has db xref: MetaCyc:4-HYDROXYPHENYLACETATE
smiles: Oc1ccc(CC([O-])=O)cc1
has db xref: Reaxys:3905591
inchikey: XQXPVVBIMDBYFF-UHFFFAOYSA-M
has OBO namespace: chebi_ontology
in subset: 3 STAR

beta-amino-acid anion
type: Class
subclass of: amino-acid anion
id: CHEBI:49095
has OBO namespace: chebi_ontology
in subset: 1 STAR

3-aminoisobutyrate
type: Class
subclass of: beta-amino-acid anion
charge: -1
monoisotopicmass: 102.056
mass: 102.11186
has exact synonym: 3-amino-2-methylpropanoate
IAO_0000115: A beta-amino acid anion that is the conjugate base of 3-aminoisobutyric acid, arising from deprotonation of the carboxy group.
formula: C4H8NO2
smiles: CC(CN)C([O-])=O
id: CHEBI:49096
inchi: InChI=1S/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/p-1
has db xref: PMID:17190852
inchikey: QCHPKSFMDHPSNR-UHFFFAOYSA-M
has related synonym: beta-aminoisobutyrate
has OBO namespace: chebi_ontology
in subset: 3 STAR

peripheral nervous system drug
type: Class
subclass of: drug
IAO_0000115: A drug that acts principally at one or more sites within the peripheral neuroeffector systems, the autonomic system, and motor nerve-skeletal system.
id: CHEBI:49110
has OBO namespace: chebi_ontology
has related synonym: peripheral nervous system agent
has related synonym: peripheral nervous system drugs
in subset: 3 STAR

anti-asthmatic drug
type: Class
subclass of: drug
subclass of: anti-asthmatic agent
IAO_0000115: A drug used to treat asthma.
id: CHEBI:49167
has related synonym: anti-asthmatic agent
has related synonym: anti-asthmatic agents
has related synonym: anti-asthmatic drugs
has OBO namespace: chebi_ontology
in subset: 3 STAR

2-hydroxy monocarboxylic acid
type: Class
subclass of: hydroxy monocarboxylic acid
has related synonym: 2-hydroxy acid
has related synonym: 2-hydroxy monocarboxylic acids
has alternative id: CHEBI:19626
has alternative id: CHEBI:35967
id: CHEBI:49302
has OBO namespace: chebi_ontology
in subset: 3 STAR

contraceptive drug
type: Class
subclass of: reproductive control drug
IAO_0000115: A chemical substance that prevents or reduces the probability of conception.
id: CHEBI:49323
has OBO namespace: chebi_ontology
has related synonym: contraceptive agent
has related synonym: contraceptive drugs
in subset: 3 STAR

hydrogen atom
type: Class
subclass of: inorganic molecular entity
subclass of: nonmetal atom
subclass of: s-block element atom
charge: 0
mass: 1.00794
monoisotopicmass: 1.008
has related synonym: 1H
has alternative id: CHEBI:24634
has alternative id: CHEBI:49636
id: CHEBI:49637
formula: H
has related synonym: H
inchi: InChI=1S/H
has related synonym: Wasserstoff
has db xref: WebElements:H
inchikey: YZCKVEUIGOORGS-UHFFFAOYSA-N
smiles: [H]
has OBO namespace: chebi_ontology
has related synonym: hidrogeno
has exact synonym: hydrogen
has related synonym: hydrogen
has related synonym: hydrogene
in subset: 3 STAR

organic amino compound
type: Class
subclass of: organonitrogen compound
subclass of: organic molecular entity
IAO_0000115: A compound formally derived from ammonia by replacing one, two or three hydrogen atoms by organyl groups.
id: CHEBI:50047
has OBO namespace: chebi_ontology
has related synonym: organic amino compounds
in subset: 3 STAR

excitatory amino acid agonist
type: Class
subclass of: neurotransmitter agent
IAO_0000115: An agent that binds to and activates excitatory amino acid receptors.
id: CHEBI:50103
has OBO namespace: chebi_ontology
has related synonym: excitatory amino acid agonists
has related synonym: excitatory amino acid receptor agonist
has related synonym: excitatory amino acid receptor agonists
in subset: 3 STAR

sex hormone
type: Class
subclass of: hormone
IAO_0000115: Any hormone that is responsible for controlling sexual characteristics and reproductive function.
id: CHEBI:50112
has related synonym: Geschlechtshormon
has related synonym: Geschlechtshormone
has related synonym: Sexualhormon
has related synonym: Sexualhormone
has OBO namespace: chebi_ontology
has related synonym: hormone sexuelle
has related synonym: hormones sexuelles
has related synonym: sex hormones
in subset: 3 STAR

androgen
type: Class
subclass of: sex hormone
IAO_0000115: A sex hormone that stimulates or controls the development and maintenance of masculine characteristics in vertebrates by binding to androgen receptors.
has exact synonym: Androgen
has related synonym: Androgene
id: CHEBI:50113
has related synonym: androgene
has related synonym: androgenes
has related synonym: androgeno
has related synonym: androgenos
has related synonym: androgens
has OBO namespace: chebi_ontology
in subset: 3 STAR

estrogen
type: Class
subclass of: sex hormone
IAO_0000115: A hormone that stimulates or controls the development and maintenance of female sex characteristics in mammals by binding to oestrogen receptors. The oestrogens are named for their importance in the oestrous cycle. The oestrogens that occur naturally in the body, notably estrone, estradiol, estriol, and estetrol are steroids. Other compounds with oestrogenic activity are produced by plants (phytoestrogens) and fungi (mycoestrogens); synthetic compounds with oestrogenic activity are known as xenoestrogens.
id: CHEBI:50114
has related synonym: Estrogene
has related synonym: Oestrogen
has related synonym: Oestrogene
has db xref: Wikipedia:Estrogen
has OBO namespace: chebi_ontology
has related synonym: estrogene
has related synonym: estrogenes
has related synonym: estrogenes Hormon
has related synonym: estrogeno
has related synonym: estrogenos
has related synonym: estrogens
has related synonym: oestrogen
has related synonym: oestrogene
has related synonym: oestrogenes
has related synonym: oestrogens
in subset: 3 STAR

trifluoromethyl group
type: Class
subclass of: haloalkyl group
has related synonym: -CF3
charge: 0
monoisotopicmass: 68.995
mass: 69.00591
formula: CF3
id: CHEBI:50127
has OBO namespace: chebi_ontology
has exact synonym: trifluoromethyl
in subset: 3 STAR

keratolytic drug
type: Class
subclass of: dermatologic drug
IAO_0000115: A drug that softens, separates, and causes desquamation of the cornified epithelium or horny layer of skin. Keratolytic drugs are used to expose mycelia of infecting fungi or to treat corns, warts, and certain other skin diseases.
id: CHEBI:50176
has OBO namespace: chebi_ontology
has related synonym: desquamating agent
has related synonym: keratolytic agent
has related synonym: keratolytic drugs
has related synonym: skin-peeling agent
in subset: 3 STAR

dermatologic drug
type: Class
subclass of: drug
IAO_0000115: A drug used to treat or prevent skin disorders or for the routine care of skin.
id: CHEBI:50177
has OBO namespace: chebi_ontology
has related synonym: dermatologic agent
has related synonym: dermatologic drugs
has related synonym: dermatological agent
in subset: 3 STAR

provitamin
type: Class
subclass of: biological role
IAO_0000115: A substance that can be converted into a vitamin by animal tissues.
id: CHEBI:50188
has db xref: Wikipedia:Provitamin
has OBO namespace: chebi_ontology
has related synonym: provitamins
in subset: 3 STAR

retinol
type: Class
subclass of: primary alcohol
subclass of: retinoid
charge: 0
monoisotopicmass: 286.230
mass: 286.45160
has exact synonym: 3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-ol
IAO_0000115: A retinoid consisting of 3,7-dimethylnona-2,4,6,8-tetraen-1-ol substituted at position 9 by a 2,6,6-trimethylcyclohex-1-en-1-yl group (geometry of the four exocyclic double bonds is not specified).
formula: C20H30O
smiles: CC(C=CC=C(C)C=CC1=C(C)CCCC1(C)C)=CCO
has alternative id: CHEBI:15037
has alternative id: CHEBI:26538
id: CHEBI:50211
inchikey: FPIPGXGPPPQFEQ-UHFFFAOYSA-N
inchi: InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3
has db xref: LINCS:LSM-5317
has db xref: MetaCyc:Retinols
has OBO namespace: chebi_ontology
has exact synonym: retinol
in subset: 3 STAR

EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
type: Class
subclass of: EC 3.1.* (ester hydrolase) inhibitor
IAO_0000115: An EC 3.1.* (ester hydrolase) inhibitor that interferes with the action of a phosphoric diester hydrolase (EC 3.1.4.*).
id: CHEBI:50218
has alternative id: CHEBI:76774
has related synonym: EC 3.1.4.* (phosphoric diester hydrolase) inhibitors
has OBO namespace: chebi_ontology
has related synonym: phosphodiesterase inhibitor
has related synonym: phosphodiesterase inhibitors
has related synonym: phosphoric diester hydrolase (EC 3.1.4.*) inhibitor
has related synonym: phosphoric diester hydrolase (EC 3.1.4.*) inhibitors
has related synonym: phosphoric diester hydrolase inhibitor
has related synonym: phosphoric diester hydrolase inhibitors
in subset: 3 STAR

hematologic agent
type: Class
subclass of: drug
id: CHEBI:50248
IAO_0000115: Drug that acts on blood and blood-forming organs and those that affect the hemostatic system.
has OBO namespace: chebi_ontology
has related synonym: hematologic agents
in subset: 3 STAR

anticoagulant
type: Class
subclass of: hematologic agent
IAO_0000115: An agent that prevents blood clotting.
id: CHEBI:50249
has related synonym: anticoagulante
has related synonym: anticoagulants
has OBO namespace: chebi_ontology
in subset: 3 STAR

2-hydroxydicarboxylic acid
type: Class
subclass of: dicarboxylic acid
has exact synonym: 2-Hydroxydicarboxylic acid
has related synonym: 2-hydroxydicarboxylic acids
IAO_0000115: Any dicarboxylic acid carrying a hydroxy group on the carbon atom at position alpha to the carboxy group.
formula: C3H4O5(CH2)n
has alternative id: CHEBI:1154
has alternative id: CHEBI:19636
id: CHEBI:50263
has db xref: KEGG:C03668
has OBO namespace: chebi_ontology
in subset: 3 STAR

prodrug
type: Class
subclass of: pro-agent
subclass of: drug
IAO_0000115: A compound that, on administration, must undergo chemical conversion by metabolic processes before becoming the pharmacologically active drug for which it is a prodrug.
id: CHEBI:50266
has db xref: PMID:23993918
has db xref: PMID:23998799
has db xref: PMID:24329110
has db xref: PMID:24628402
has db xref: PMID:24709544
has db xref: PMID:25144792
has db xref: PMID:25157234
has db xref: PMID:25269430
has db xref: PMID:25391982
has db xref: PMID:25591121
has db xref: PMID:25620096
has db xref: PMID:25795057
has db xref: PMID:26028253
has db xref: PMID:26184144
has db xref: PMID:28070577
has db xref: PMID:28215138
has db xref: PMID:28219047
has db xref: PMID:28259775
has db xref: PMID:28319647
has db xref: PMID:28329729
has db xref: PMID:28334528
has related synonym: Prodrugs
has db xref: Wikipedia:Prodrug
has OBO namespace: chebi_ontology
in subset: 3 STAR

protective agent
type: Class
subclass of: drug
id: CHEBI:50267
IAO_0000115: Synthetic or natural substance which is given to prevent a disease or disorder or are used in the process of treating a disease or injury due to a poisonous agent.
has OBO namespace: chebi_ontology
has related synonym: chemoprotectant
has related synonym: chemoprotectants
has related synonym: chemoprotective agent
has related synonym: chemoprotective agents
has related synonym: protective agents
in subset: 3 STAR

canonical nucleotide residue
type: Class
subclass of: nucleotide residue
id: CHEBI:50297
has related synonym: canonical nucleotide residues
has OBO namespace: chebi_ontology
in subset: 3 STAR

canonical ribonucleotide residue
type: Class
subclass of: canonical nucleotide residue
id: CHEBI:50299
has related synonym: canonical ribonucleotide residues
has OBO namespace: chebi_ontology
in subset: 3 STAR

onium compound
type: Class
subclass of: heteroatomic molecular entity
id: CHEBI:50312
has OBO namespace: chebi_ontology
in subset: 1 STAR

onium cation
type: Class
subclass of: onium compound
id: CHEBI:50313
IAO_0000115: Mononuclear cations derived by addition of a hydron to a mononuclear parent hydride of the pnictogen, chalcogen and halogen families.
has OBO namespace: chebi_ontology
has exact synonym: onium cations
has related synonym: onium cations
has related synonym: onium ion
has related synonym: onium ions
in subset: 3 STAR

chloronium
type: Class
subclass of: onium cation
charge: +1
monoisotopicmass: 36.985
mass: 37.46858
id: CHEBI:50315
formula: ClH2
has db xref: Gmelin:331
has related synonym: H2Cl(+)
inchikey: IGJWHVUMEJASKV-UHFFFAOYSA-N
inchi: InChI=1S/ClH2/h1H2/q+1
has related synonym: [ClH2](+)
smiles: [H][Cl+][H]
has OBO namespace: chebi_ontology
has exact synonym: chloranium
has exact synonym: chloronium
in subset: 3 STAR

bromonium
type: Class
subclass of: onium cation
charge: +1
monoisotopicmass: 80.934
mass: 81.91988
formula: BrH2
id: CHEBI:50316
has db xref: Gmelin:719134
has related synonym: H2Br(+)
inchikey: IWNNBBVLEFUBNE-UHFFFAOYSA-N
inchi: InChI=1S/BrH2/h1H2/q+1
has related synonym: [BrH2](+)
smiles: [H][Br+][H]
has exact synonym: bromanium
has exact synonym: bromonium
has OBO namespace: chebi_ontology
in subset: 3 STAR

iodonium
type: Class
subclass of: onium cation
charge: +1
monoisotopicmass: 128.920
mass: 128.92035
id: CHEBI:50317
has db xref: Gmelin:1425841
formula: H2I
has related synonym: H2I(+)
inchi: InChI=1S/H2I/h1H2/q+1
inchikey: MGFYSGNNHQQTJW-UHFFFAOYSA-N
smiles: [H][I+][H]
has related synonym: [IH2](+)
has OBO namespace: chebi_ontology
has exact synonym: iodanium
has exact synonym: iodonium
in subset: 3 STAR

nucleotide residue
type: Class
subclass of: organic group
id: CHEBI:50319
has OBO namespace: chebi_ontology
has related synonym: nucleotide residues
in subset: 3 STAR

nucleoside residue
type: Class
subclass of: organic group
id: CHEBI:50320
has OBO namespace: chebi_ontology
has related synonym: nucleoside residues
in subset: 3 STAR

proteinogenic amino-acid side-chain group
type: Class
subclass of: organyl group
IAO_0000115: A univalent organyl group obtained by cleaving the bond from C-2 to the side chain of a proteinogenic amino-acid.
id: CHEBI:50325
has related synonym: canonical amino-acid side-chain
has related synonym: canonical amino-acid side-chains
has OBO namespace: chebi_ontology
has related synonym: proteinogenic amino-acid side-chain
has related synonym: proteinogenic amino-acid side-chain groups
has related synonym: proteinogenic amino-acid side-chains
in subset: 3 STAR

sulfanylmethyl group
type: Class
subclass of: proteinogenic amino-acid side-chain group
has related synonym: -CH2-SH
charge: 0
monoisotopicmass: 46.996
mass: 47.10052
formula: CH3S
id: CHEBI:50326
has related synonym: HS-CH2-
has OBO namespace: chebi_ontology
has related synonym: cysteine side-chain
has exact synonym: sulfanylmethyl
in subset: 3 STAR

2-carboxyethyl group
type: Class
subclass of: proteinogenic amino-acid side-chain group
charge: 0
has exact synonym: 2-carboxyethyl
monoisotopicmass: 73.029
mass: 73.07060
formula: C3H5O2
id: CHEBI:50329
has OBO namespace: chebi_ontology
has related synonym: glutamic acid side-chain
in subset: 3 STAR

2-amino-2-oxoethyl group
type: Class
subclass of: proteinogenic amino-acid side-chain group
charge: 0
has exact synonym: 2-amino-2-oxoethyl
monoisotopicmass: 58.029
mass: 58.05930
formula: C2H4NO
id: CHEBI:50330
has related synonym: asparagine side-chain
has OBO namespace: chebi_ontology
in subset: 3 STAR

3-amino-3-oxopropyl group
type: Class
subclass of: proteinogenic amino-acid side-chain group
charge: 0
has exact synonym: 3-amino-3-oxopropyl
monoisotopicmass: 72.045
mass: 72.08588
formula: C3H6NO
id: CHEBI:50331
has OBO namespace: chebi_ontology
has related synonym: glutamine side-chain
in subset: 3 STAR

4-hydroxybenzyl group
type: Class
subclass of: proteinogenic amino-acid side-chain group
charge: 0
monoisotopicmass: 107.050
mass: 107.12988
has exact synonym: 4-hydroxybenzyl
formula: C7H7O
id: CHEBI:50336
has OBO namespace: chebi_ontology
has related synonym: tyrosine side-chain
in subset: 3 STAR

1H-indol-3-ylmethyl group
type: Class
subclass of: proteinogenic amino-acid side-chain group
charge: 0
monoisotopicmass: 130.066
mass: 130.16656
has exact synonym: 1H-indol-3-ylmethyl
formula: C9H8N
id: CHEBI:50337
has OBO namespace: chebi_ontology
has related synonym: tryptophan side-chain
in subset: 3 STAR

1H-imidazol-4-ylmethyl group
type: Class
subclass of: proteinogenic amino-acid side-chain group
charge: 0
has exact synonym: 1H-imidazol-4-ylmethyl
monoisotopicmass: 81.045
mass: 81.09598
formula: C4H5N2
id: CHEBI:50338
has OBO namespace: chebi_ontology
has related synonym: histidine side-chain
in subset: 3 STAR

4-aminobutyl group
type: Class
subclass of: proteinogenic amino-acid side-chain group
charge: 0
has exact synonym: 4-aminobutyl
monoisotopicmass: 72.081
mass: 72.12894
formula: C4H10N
id: CHEBI:50339
has OBO namespace: chebi_ontology
has related synonym: lysine side-chain
in subset: 3 STAR

3-carbamimidamidopropyl group
type: Class
subclass of: proteinogenic amino-acid side-chain group
charge: 0
monoisotopicmass: 100.087
mass: 100.14242
has related synonym: 3-(carbamimidoylamino)propyl
has exact synonym: 3-carbamimidamidopropyl
has related synonym: 3-guanidinopropyl
formula: C4H10N3
id: CHEBI:50340
has related synonym: arginine side-chain
has OBO namespace: chebi_ontology
in subset: 3 STAR

1-hydroxyethyl group
type: Class
subclass of: proteinogenic amino-acid side-chain group
charge: 0
has exact synonym: 1-hydroxyethyl
monoisotopicmass: 45.034
mass: 45.06050
formula: C2H5O
id: CHEBI:50341
has OBO namespace: chebi_ontology
has related synonym: threonine side-chain
in subset: 3 STAR

organic iodide salt
type: Class
subclass of: iodide salt
subclass of: organic halide salt
id: CHEBI:50356
has OBO namespace: chebi_ontology
has related synonym: organic iodide salts
in subset: 3 STAR

cholestanoid
type: Class
subclass of: steroid
IAO_0000115: Any steroid based on a cholestane skeleton and its derivatives.
id: CHEBI:50401
has OBO namespace: chebi_ontology
has related synonym: cholestanoids
in subset: 3 STAR

androstanoid
type: Class
subclass of: steroid
IAO_0000115: Any steroid based on an androstane skeleton and its derivatives.
id: CHEBI:50402
has related synonym: androstanoids
has OBO namespace: chebi_ontology
in subset: 3 STAR

lipoprotein cholesterol
type: Class
subclass of: cholestanoid
id: CHEBI:50404
IAO_0000115: Cholesterol esters and free cholesterol which are contained in or bound to lipoproteins.
has OBO namespace: chebi_ontology
in subset: 3 STAR

haloalkyl group
type: Class
subclass of: organyl group
IAO_0000115: A group derived from a haloalkane by removal of a hydrogen atom.
id: CHEBI:50491
has OBO namespace: chebi_ontology
has related synonym: haloalkyl groups
in subset: 3 STAR

laxative
type: Class
subclass of: drug
IAO_0000115: An agent that produces a soft formed stool, and relaxes and loosens the bowels, typically used over a protracted period, to relieve constipation. Compare with cathartic, which is a substance that accelerates defecation. A substances can be both a laxative and a cathartic.
id: CHEBI:50503
has related synonym: aperient
has related synonym: aperients
has OBO namespace: chebi_ontology
has related synonym: laxante
has related synonym: laxatives
has related synonym: purgative
has related synonym: purgatives
in subset: 3 STAR

sweetening agent
type: Class
subclass of: flavouring agent
id: CHEBI:50505
IAO_0000115: Substance that sweeten food, beverages, medications, etc.
has OBO namespace: chebi_ontology
has related synonym: sweetener
has related synonym: sweeteners
in subset: 3 STAR

bipyridines
type: Class
subclass of: ring assembly
subclass of: organonitrogen heterocyclic compound
subclass of: biaryl
id: CHEBI:50511
IAO_0000115: Compounds containing a bipyridine group.
has related synonym: bipyridyls
has OBO namespace: chebi_ontology
in subset: 3 STAR

alkyl alcohol
type: Class
subclass of: aliphatic alcohol
IAO_0000115: An aliphatic alcohol in which the aliphatic alkane chain is substituted by a hydroxy group at unspecified position.
has alternative id: CHEBI:22937
has alternative id: CHEBI:50581
id: CHEBI:50584
has related synonym: alkyl alcohols
has OBO namespace: chebi_ontology
has related synonym: hydroxyalkane
has related synonym: hydroxyalkanes
in subset: 3 STAR

bone density conservation agent
type: Class
subclass of: drug
IAO_0000115: An agent that inhibits bone resorption and/or favor bone mineralization and bone regeneration. Used to heal bone fractures and to treat bone diseases such as osteopenia and osteoporosis.
id: CHEBI:50646
has alternative id: CHEBI:72497
has db xref: Wikipedia:Osteoporosis
has related synonym: anti-osteopenia agent
has related synonym: anti-osteopenia agents
has related synonym: anti-osteopenia drug
has related synonym: anti-osteopenia drugs
has related synonym: anti-osteoporosis agent
has related synonym: anti-osteoporosis agents
has related synonym: anti-osteoporosis drug
has related synonym: anti-osteoporosis drugs
has related synonym: anti-osteoporotic
has related synonym: anti-osteoporotic agent
has related synonym: anti-osteoporotic agents
has related synonym: anti-osteoporotic drug
has related synonym: anti-osteoporotic drugs
has related synonym: anti-osteoporotics
has related synonym: antiosteoporotic
has related synonym: antiosteoporotics
has related synonym: bone density conservation agents
has related synonym: bone density conservation drug
has related synonym: bone density conservation drugs
has OBO namespace: chebi_ontology
in subset: 3 STAR

reproductive control drug
type: Class
subclass of: drug
IAO_0000115: A substance used either in the prevention or facilitation of pregnancy.
id: CHEBI:50689
has OBO namespace: chebi_ontology
has related synonym: reproductive control agent
has related synonym: reproductive control drugs
in subset: 3 STAR

oligosaccharide
type: Class
subclass of: carbohydrate
IAO_0000115: A compound in which monosaccharide units are joined by glycosidic linkages. The term is commonly used to refer to a defined structure as opposed to a polymer of unspecified length or a homologous mixture. When the linkages are of other types the compounds are regarded as oligosaccharide analogues.
has alternative id: CHEBI:25679
has alternative id: CHEBI:35319
id: CHEBI:50699
has alternative id: CHEBI:7758
has db xref: KEGG:C00930
has related synonym: O-glycosylglycoside
has related synonym: O-glycosylglycosides
has exact synonym: Oligosaccharide
has related synonym: an oligosaccharide
has OBO namespace: chebi_ontology
has related synonym: oligosacarido
has related synonym: oligosacaridos
has exact synonym: oligosaccharides
in subset: 3 STAR

nutraceutical
type: Class
subclass of: drug
IAO_0000115: A product in capsule, tablet or liquid form that provide essential nutrients, such as a vitamin, an essential mineral, a protein, an herb, or similar nutritional substance.
id: CHEBI:50733
has related synonym: Dietary Supplement
has related synonym: Food Supplementation
has related synonym: Nutritional supplement
has OBO namespace: chebi_ontology
in subset: 3 STAR

taurine zwitterion
type: Class
subclass of: zwitterion
charge: 0
monoisotopicmass: 125.015
mass: 125.14700
has related synonym: 2-ammonioethanesulfonate
has exact synonym: 2-azaniumylethane-1-sulfonate
formula: C2H7NO3S
id: CHEBI:507393
inchi: InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)
has db xref: PMID:17765547
IAO_0000115: The zwitterion formed from taurine by transfer of a proton from the sulfonyl to the amino group. It is the major species existing at physiological pH.
inchikey: XOAAWQZATWQOTB-UHFFFAOYSA-N
smiles: [NH3+]CCS([O-])(=O)=O
has OBO namespace: chebi_ontology
has related synonym: taurine
in subset: 3 STAR

progestogen
type: Class
subclass of: sex hormone
IAO_0000115: A compound that interacts with progesterone receptors in target tissues to bring about effects similar to those of progesterone.
id: CHEBI:50745
has OBO namespace: chebi_ontology
has related synonym: gestagen
has related synonym: gestagens
has related synonym: progestagen
has related synonym: progestagens
has related synonym: progestogens
in subset: 3 STAR

antipsoriatic
type: Class
subclass of: dermatologic drug
IAO_0000115: A drug used to treat psoriasis.
id: CHEBI:50748
has related synonym: antipsoriatic agent
has related synonym: antipsoriatic drug
has OBO namespace: chebi_ontology
in subset: 3 STAR

appetite enhancer
type: Class
subclass of: appetite regulator
IAO_0000115: A drug which increases appetite.
id: CHEBI:50779
has db xref: Wikipedia:Appetite_stimulants
has related synonym: appetite enhancing drug
has related synonym: appetite stimulant
has OBO namespace: chebi_ontology
has related synonym: orexigenic
in subset: 3 STAR

appetite regulator
type: Class
subclass of: drug
IAO_0000115: An agent which regulates the physiologic mechanisms that control the appetite and food intake.
id: CHEBI:50780
has related synonym: appetite regulators
has OBO namespace: chebi_ontology
in subset: 3 STAR

immunomodulator
type: Class
subclass of: drug
subclass of: biological role
IAO_0000115: Biologically active substance whose activity affects or plays a role in the functioning of the immune system.
has related synonym: Biomodulator
id: CHEBI:50846
has related synonym: Immune factor
has related synonym: Immunologic factor
has related synonym: Immunological factor
has db xref: Wikipedia:Immunotherapy
has OBO namespace: chebi_ontology
has related synonym: immunomodulators
in subset: 3 STAR

antiatherogenic agent
type: Class
subclass of: cardiovascular drug
IAO_0000115: A cardiovascular drug that prevents atherogenesis, the accumulation of lipid containing plaques on the innermost layers of the arteries.
id: CHEBI:50855
has OBO namespace: chebi_ontology
in subset: 3 STAR

anti-allergic agent
type: Class
subclass of: drug
IAO_0000115: A drug used to treat allergic reactions.
id: CHEBI:50857
has related synonym: anti-allergic agents
has related synonym: anti-allergic drug
has related synonym: anti-allergic drugs
has OBO namespace: chebi_ontology
in subset: 3 STAR

corticosteroid
type: Class
subclass of: steroid
IAO_0000115: A natural or synthetic analogue of the hormones secreted by the adrenal gland.
id: CHEBI:50858
has OBO namespace: chebi_ontology
has related synonym: corticoides
has related synonym: corticosteroides
has related synonym: corticosteroids
in subset: 3 STAR

organic molecular entity
type: Class
subclass of: carbon group molecular entity
subclass of: Restriction
  on property: has part
  some values from: carbon atom
IAO_0000115: Any molecular entity that contains carbon.
has alternative id: CHEBI:25700
has alternative id: CHEBI:33244
id: CHEBI:50860
has OBO namespace: chebi_ontology
has related synonym: organic compounds
has related synonym: organic entity
has related synonym: organic molecular entities
in subset: 3 STAR

azaarene
type: Class
subclass of: heteroarene
subclass of: organonitrogen heterocyclic compound
id: CHEBI:50893
has related synonym: azaarenes
has OBO namespace: chebi_ontology
in subset: 3 STAR

genotoxin
type: Class
subclass of: aetiopathogenetic role
IAO_0000115: A role played by a chemical compound to induce direct or indirect DNA damage. Such damage can potentially lead to the formation of a malignant tumour, but DNA damage does not lead inevitably to the creation of cancerous cells.
id: CHEBI:50902
has db xref: Wikipedia:Genotoxicity
has OBO namespace: chebi_ontology
has related synonym: genotoxic agent
has related synonym: genotoxic agents
has related synonym: genotoxins
in subset: 3 STAR

carcinogenic agent
type: Class
subclass of: aetiopathogenetic role
IAO_0000115: A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities.
id: CHEBI:50903
has related synonym: agente carcinogeno
has related synonym: cancerigene
has related synonym: cancerogene
has related synonym: carcinogen
has related synonym: carcinogene
has related synonym: carcinogenic agents
has related synonym: carcinogeno
has related synonym: carcinogens
has OBO namespace: chebi_ontology
in subset: 3 STAR

allergen
type: Class
subclass of: aetiopathogenetic role
IAO_0000115: A chemical compound which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.
id: CHEBI:50904
has db xref: Wikipedia:Allergen
has related synonym: alergeno
has related synonym: allergene
has related synonym: allergenic agent
has OBO namespace: chebi_ontology
in subset: 3 STAR

teratogenic agent
type: Class
subclass of: aetiopathogenetic role
IAO_0000115: A role played by a chemical compound in biological systems with adverse consequences in embryo developments, leading to birth defects, embryo death or altered development, growth retardation and functional defect.
id: CHEBI:50905
has related synonym: agent teratogene
has OBO namespace: chebi_ontology
has related synonym: teratogen
has related synonym: teratogeno
in subset: 3 STAR

role
type: Class
IAO_0000115: A role is particular behaviour which a material entity may exhibit.
id: CHEBI:50906
has OBO namespace: chebi_ontology
in subset: 3 STAR

neurotoxin
type: Class
subclass of: aetiopathogenetic role
subclass of: poison
IAO_0000115: A poison that interferes with the functions of the nervous system.
id: CHEBI:50910
has alternative id: CHEBI:50911
has db xref: Wikipedia:Neurotoxin
has related synonym: agente neurotoxico
has OBO namespace: chebi_ontology
has related synonym: nerve poison
has related synonym: nerve poisons
has related synonym: neurotoxic agent
has related synonym: neurotoxic agents
has related synonym: neurotoxicant
has related synonym: neurotoxins
in subset: 3 STAR

EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
type: Class
subclass of: EC 2.7.11.* (protein-serine/threonine kinase) inhibitor
has related synonym: A-kinase inhibitor
has related synonym: A-kinase inhibitors
has related synonym: AP50 kinase inhibitor
has related synonym: AP50 kinase inhibitors
has related synonym: ATP-protein transphosphorylase inhibitor
has related synonym: ATP-protein transphosphorylase inhibitors
has related synonym: ATP:protein phosphotransferase (non-specific) inhibitor
has related synonym: ATP:protein phosphotransferase (non-specific) inhibitors
IAO_0000115: An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of non-specific serine/threonine protein kinase (EC 2.7.11.1), a kinase enzyme involved in phosphorylation of hydroxy group of serine or threonine.
id: CHEBI:50925
has alternative id: CHEBI:75764
has related synonym: CK-2 inhibitor
has related synonym: CK-2 inhibitors
has related synonym: CKI inhibitor
has related synonym: CKI inhibitors
has related synonym: CKII inhibitor
has related synonym: CKII inhibitors
has related synonym: EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitors
has related synonym: EC 2.7.11.1 inhibitor
has related synonym: EC 2.7.11.1 inhibitors
has related synonym: HIPK2 inhibitor
has related synonym: HIPK2 inhibitors
has related synonym: Hpr kinase inhibitor
has related synonym: Hpr kinase inhibitors
has related synonym: M phase-specific cdc2 kinase inhibitor
has related synonym: M phase-specific cdc2 kinase inhibitors
has related synonym: PAK-1 inhibitor
has related synonym: PAK-1 inhibitors
has related synonym: PAK1 inhibitor
has related synonym: PAK1 inhibitors
has related synonym: PKA inhibitor
has related synonym: PKA inhibitors
has related synonym: Prp4 protein kinase inhibitor
has related synonym: Prp4 protein kinase inhibitors
has related synonym: Raf kinase inhibitor
has related synonym: Raf kinase inhibitors
has related synonym: Raf-1 inhibitor
has related synonym: Raf-1 inhibitors
has related synonym: STK32 inhibitor
has related synonym: STK32 inhibitors
has related synonym: T-antigen kinase inhibitor
has related synonym: T-antigen kinase inhibitors
has related synonym: WEE1Hu inhibitor
has related synonym: WEE1Hu inhibitors
has related synonym: Wee 1-like kinase inhibitor
has related synonym: Wee 1-like kinase inhibitors
has related synonym: Wee-kinase inhibitor
has related synonym: Wee-kinase inhibitors
has related synonym: betaIIPKC inhibitor
has related synonym: betaIIPKC inhibitors
has related synonym: cAMP-dependent protein kinase A inhibitor
has related synonym: cAMP-dependent protein kinase A inhibitors
has related synonym: cAMP-dependent protein kinase inhibitor
has related synonym: cAMP-dependent protein kinase inhibitors
has related synonym: cGMP-dependent protein kinase inhibitor
has related synonym: cGMP-dependent protein kinase inhibitors
has related synonym: calcium-dependent protein kinase C inhibitor
has related synonym: calcium-dependent protein kinase C inhibitors
has related synonym: calcium/phospholipid-dependent protein kinase inhibitor
has related synonym: calcium/phospholipid-dependent protein kinase inhibitors
has related synonym: casein kinase (phosphorylating) inhibitor
has related synonym: casein kinase (phosphorylating) inhibitors
has related synonym: casein kinase 2 inhibitor
has related synonym: casein kinase 2 inhibitors
has related synonym: casein kinase I inhibitor
has related synonym: casein kinase I inhibitors
has related synonym: casein kinase II inhibitor
has related synonym: casein kinase II inhibitors
has related synonym: casein kinase inhibitor
has related synonym: casein kinase inhibitors
has OBO namespace: chebi_ontology
has related synonym: cyclic AMP-dependent protein kinase A inhibitor
has related synonym: cyclic AMP-dependent protein kinase A inhibitors
has related synonym: cyclic AMP-dependent protein kinase inhibitor
has related synonym: cyclic AMP-dependent protein kinase inhibitors
has related synonym: cyclic monophosphate-dependent protein kinase inhibitor
has related synonym: cyclic monophosphate-dependent protein kinase inhibitors

serotonin uptake inhibitor
type: Class
subclass of: serotonergic drug
IAO_0000115: A compound that specifically inhibits the reuptake of serotonin in the brain. This increases the serotonin concentration in the synaptic cleft which then activates serotonin receptors to a greater extent.
id: CHEBI:50949
has related synonym: SSRI
has db xref: Wikipedia:Selective_serotonin_reuptake_inhibitor
has OBO namespace: chebi_ontology
has related synonym: serotonin reuptake inhibitor
in subset: 3 STAR

non-covalently-bound molecular entity
type: Class
subclass of: polyatomic entity
id: CHEBI:50967
IAO_0000115: Systems consisting of two or more molecular entities held together by non-covalent interactions.
has OBO namespace: chebi_ontology
has related synonym: non-covalently-bound molecular entities
in subset: 3 STAR

primary amino compound
type: Class
subclass of: organic amino compound
IAO_0000115: A compound formally derived from ammonia by replacing one hydrogen atom by an organyl group.
id: CHEBI:50994
has OBO namespace: chebi_ontology
has related synonym: primary amino compounds
in subset: 3 STAR

secondary amino compound
type: Class
subclass of: organic amino compound
IAO_0000115: A compound formally derived from ammonia by replacing two hydrogen atoms by organyl groups.
id: CHEBI:50995
has OBO namespace: chebi_ontology
has related synonym: secondary amino compounds
in subset: 3 STAR

tertiary amino compound
type: Class
subclass of: organic amino compound
IAO_0000115: A compound formally derived from ammonia by replacing three hydrogen atoms by organyl groups.
id: CHEBI:50996
has OBO namespace: chebi_ontology
has related synonym: tertiary amino compounds
in subset: 3 STAR

hormone agonist
type: Class
subclass of: agonist
subclass of: hormone receptor modulator
IAO_0000115: A chemical substance which binds to specific hormone receptors activating the function of the endocrine glands, the biosynthesis of their secreted hormones, or the action of hormones upon their specific sites.
id: CHEBI:51060
has OBO namespace: chebi_ontology
in subset: 3 STAR

hormone receptor modulator
type: Class
subclass of: drug
subclass of: receptor modulator
IAO_0000115: A drug that modulates the function of the endocrine glands, the biosynthesis of their secreted hormones, or the action of hormones upon their specific sites.
id: CHEBI:51061
has OBO namespace: chebi_ontology
has related synonym: hormone receptor modulators
in subset: 3 STAR

organic halide salt
type: Class
subclass of: organic salt
id: CHEBI:51069
has OBO namespace: chebi_ontology
has related synonym: organic halide salts
in subset: 3 STAR

(R)-colchicine
type: Class
subclass of: colchicine
charge: 0
monoisotopicmass: 399.168
mass: 399.43704
has db xref: Beilstein:3226657
formula: C22H25NO6
id: CHEBI:51074
inchikey: IAKHMKGGTNLKSZ-MRXNPFEDSA-N
inchi: InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m1/s1
has exact synonym: N-[(7R)-1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide
has OBO namespace: chebi_ontology
in subset: 3 STAR

chemical role
type: Class
subclass of: role
IAO_0000115: A role played by the molecular entity or part thereof within a chemical context.
id: CHEBI:51086
has OBO namespace: chebi_ontology
in subset: 3 STAR

mianserin
type: Class
subclass of: dibenzoazepine
charge: 0
has related synonym: 1,2,3,4,10,14b-Hexahydro-2-methyldibenzo(c,f)pyrazino(1,2-a)azepine
has exact synonym: 2-methyl-1,2,3,4,10,14b-hexahydrodibenzo[c,f]pyrazino[1,2-a]azepine
monoisotopicmass: 264.163
mass: 264.36480
IAO_0000115: A dibenzoazepine (specifically 1,2,3,4,10,14b-hexahydrodibenzo[c,f]pyrazino[1,2-a]azepine) methyl-substituted on N-2. Closely related to (and now mostly superseded by) the tetracyclic antidepressant mirtazapinean, it is an atypical antidepressant used in the treatment of depression throughout Europe and elsewhere.
has db xref: Beilstein:755346
formula: C18H20N2
has db xref: CAS:24219-97-4
id: CHEBI:51137
smiles: CN1CCN2C(C1)c1ccccc1Cc1ccccc21
has db xref: DrugBank:DB06148
has db xref: Drug_Central:1796
inchi: InChI=1S/C18H20N2/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19/h2-9,18H,10-13H2,1H3
has db xref: LINCS:LSM-1374
has db xref: PMID:20825390
has db xref: Patent:NL6603256
has db xref: Patent:US3534041
inchikey: UEQUQVLFIPOEMF-UHFFFAOYSA-N
has db xref: Wikipedia:Mianserin
has OBO namespace: chebi_ontology
has related synonym: mianserin
has related synonym: mianserina
has related synonym: mianserine
has related synonym: mianserinum
in subset: 3 STAR

nitrogen molecular entity
type: Class
subclass of: pnictogen molecular entity
subclass of: Restriction
  on property: has part
  some values from: nitrogen atom
has alternative id: CHEBI:25556
id: CHEBI:51143
has alternative id: CHEBI:7594
has db xref: KEGG:C06061
has related synonym: Nitrogenous compounds
has OBO namespace: chebi_ontology
has related synonym: nitrogen compounds
has related synonym: nitrogen molecular entities
in subset: 3 STAR

dipolar compound
type: Class
subclass of: organic molecule
IAO_0000115: An organic molecule that is electrically neutral carrying a positive and a negative charge in one of its major canonical descriptions. In most dipolar compounds the charges are delocalized; however the term is also applied to species where this is not the case.
id: CHEBI:51151
has OBO namespace: chebi_ontology
has related synonym: dipolar compounds
in subset: 3 STAR

fluoxetine
type: Class
subclass of: racemate
subclass of: Restriction
  on property: has part
  some values from: (R)-fluoxetine
subclass of: Restriction
  on property: has part
  some values from: (S)-fluoxetine
has related synonym: (+-)-N-methyl-3-phenyl-3-((alpha,alpha,alpha-trifluoro-p-tolyl)oxy)propylamine
charge: 0
mass: 309.32610
IAO_0000115: A racemate comprising equimolar amounts of (R)- and (S)-fluoxetine. A selective serotonin reuptake inhibitor (SSRI), it is used (generally as the hydrochloride salt) for the treatment of depression (and the depressive phase of bipolar disorder), bullimia nervosa, and obsessive-compulsive disorder.
has db xref: Beilstein:39914106
formula: C17H18F3NO
has db xref: CAS:54910-89-3
id: CHEBI:5118
has db xref: DrugBank:DB00472
has db xref: HMDB:HMDB0014615
has db xref: KEGG:D00326
has db xref: PMID:19144769
has db xref: PMID:22903652
has db xref: PMID:22923967
has db xref: PMID:23885544
has db xref: PMID:24184049
has db xref: PMID:24399719
has db xref: PMID:24464553
has db xref: PMID:24997906
has db xref: PMID:25448156
has db xref: PMID:25639887
has db xref: PMID:25671301
has db xref: PMID:8694321
has db xref: Patent:DE2500110
has db xref: Patent:US4314081
has related synonym: Prozac
has db xref: Reaxys:3991406
has db xref: Wikipedia:Fluoxetine
has OBO namespace: chebi_ontology
has related synonym: fluoxetina
has related synonym: fluoxetine
has related synonym: fluoxetinum
has exact synonym: rac-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
in subset: 3 STAR

thioester
type: Class
subclass of: thiocarboxylic ester
subclass of: carbonyl compound
charge: 0
monoisotopicmass: 59.967
mass: 60.07500
IAO_0000115: A compound of general formula RC(=O)SR'. Compare with thionoester, RC(=S)OR'.
id: CHEBI:51277
formula: COSR2
smiles: [*]C(=O)S[*]
has OBO namespace: chebi_ontology
has related synonym: thio ester
has related synonym: thioesters
has related synonym: thiol ester
in subset: 3 STAR

S-methyl thioacetate
type: Class
subclass of: thioester
charge: 0
monoisotopicmass: 90.014
mass: 90.14514
has db xref: Beilstein:1736664
formula: C3H6OS
has db xref: CAS:1534-08-3
has related synonym: CH3C(O)SCH3
has alternative id: CHEBI:38533
has alternative id: CHEBI:51279
id: CHEBI:51280
smiles: CSC(C)=O
has db xref: Gmelin:1316927
inchi: InChI=1S/C3H6OS/c1-3(4)5-2/h1-2H3
inchikey: OATSQCXMYKYFQO-UHFFFAOYSA-N
has exact synonym: S-methyl ethanethioate
has OBO namespace: chebi_ontology
has related synonym: ethanethioic acid, S-methyl ester
has related synonym: methanethiol acetate
has related synonym: methyl ethanethioate
has related synonym: methyl thioacetate
has related synonym: methylthioacetate
has related synonym: thioacetic acid S-methyl ester
in subset: 3 STAR

cinchona alkaloid
type: Class
subclass of: quinoline alkaloid
IAO_0000115: An alkaloid based on a cinchonan skeleton.
id: CHEBI:51323
has OBO namespace: chebi_ontology
has related synonym: cinchona alkaloids
in subset: 3 STAR

muscle relaxant
type: Class
subclass of: neuromuscular agent
IAO_0000115: A drug used to produce muscle relaxation (excepting neuromuscular blocking agents). Its primary clinical and therapeutic use is the treatment of muscle spasm and immobility associated with strains, sprains, and injuries of the back and, to a lesser degree, injuries to the neck. Also used for the treatment of a variety of clinical conditions that have in common only the presence of skeletal muscle hyperactivity, for example, the muscle spasms that can occur in multiple sclerosis.
id: CHEBI:51371
has OBO namespace: chebi_ontology
has related synonym: muscle relaxants
in subset: 3 STAR

neuromuscular agent
type: Class
subclass of: drug
IAO_0000115: A drug used for its actions on skeletal muscle.
id: CHEBI:51372
has OBO namespace: chebi_ontology
in subset: 3 STAR

GABA agent
type: Class
subclass of: neurotransmitter agent
IAO_0000115: A substance, such as agonists, antagonists, degradation or uptake inhibitors, depleters, precursors, and modulators of receptor function, used for its pharmacological actions on GABAergic systems.
id: CHEBI:51374
has OBO namespace: chebi_ontology
in subset: 3 STAR

D-ascorbic acid
type: Class
subclass of: ascorbic acid
has exact synonym: (5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyfuran-2(5H)-one
charge: 0
monoisotopicmass: 176.032
mass: 176.12412
has db xref: Beilstein:84273
formula: C6H8O6
has db xref: CAS:10504-35-5
id: CHEBI:51384
inchikey: CIWBSHSKHKDKBQ-MVHIGOERSA-N
has related synonym: D-lyxoascorbic acid
has related synonym: D-threo-hex-2-enoic acid gamma-lactone
has exact synonym: D-threo-hex-2-enono-1,4-lactone
has related synonym: D-xyloascorbic acid
inchi: InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m1/s1
smiles: [H][C@]1(OC(=O)C(O)=C1O)[C@H](O)CO
has OBO namespace: chebi_ontology
in subset: 3 STAR

organodiyl group
type: Class
subclass of: organic divalent group
IAO_0000115: Any organic substituent group, regardless of functional type, having two free valences at carbon atom(s).
id: CHEBI:51422
has OBO namespace: chebi_ontology
has related synonym: organodiyl groups
in subset: 3 STAR

organic divalent group
type: Class
subclass of: organic group
id: CHEBI:51446
has OBO namespace: chebi_ontology
in subset: 1 STAR

organic univalent group
type: Class
subclass of: organic group
id: CHEBI:51447
has OBO namespace: chebi_ontology
in subset: 1 STAR

N-acyl-amino acid
type: Class
subclass of: carboxylic acid
subclass of: carboxamide
subclass of: amino acid derivative
IAO_0000115: A carboxamide resulting from the formal condensation of a carboxylic acid with the amino group of an amino acid.
has alternative id: CHEBI:21653
has alternative id: CHEBI:22226
id: CHEBI:51569
has related synonym: N-acyl amino acid
has related synonym: N-acyl amino acids
has related synonym: N-acyl-amino-acid
has related synonym: N-acyl-amino-acids
has related synonym: N-acylamino acid
has related synonym: N-acylamino acids
has related synonym: acyl-amino-acid
has related synonym: acyl-amino-acids
has related synonym: acylamino acids
has OBO namespace: chebi_ontology
in subset: 3 STAR

methoxybenzenes
type: Class
subclass of: benzenes
subclass of: aromatic ether
IAO_0000115: Any aromatic ether that consists of a benzene skeleton substituted with one or more methoxy groups.
id: CHEBI:51683
has OBO namespace: chebi_ontology
has related synonym: methoxybenzene
in subset: 3 STAR

enal
type: Class
subclass of: alpha,beta-unsaturated aldehyde
subclass of: olefinic compound
charge: 0
monoisotopicmass: 53.003
mass: 53.03940
IAO_0000115: An alpha,beta-unsaturated aldehyde of general formula R(1)R(2)C=CR(3)-CH=O in which the aldehydic C=O function is conjugated to a C=C double bond at the alpha,beta position.
formula: C3HOR3
id: CHEBI:51688
smiles: [H]C(=O)C(\[*])=C(/[*])[*]
has OBO namespace: chebi_ontology
has related synonym: enals
in subset: 3 STAR

enone
type: Class
subclass of: alpha,beta-unsaturated ketone
subclass of: olefinic compound
charge: 0
monoisotopicmass: 51.995
mass: 52.03150
IAO_0000115: An alpha,beta-unsaturated ketone of general formula R(1)R(2)C=CR(3)-C(=O)R(4) (R(4) =/= H) in which the C=O function is conjugated to a C=C double bond at the alpha,beta position.
formula: C3OR4
id: CHEBI:51689
has db xref: Wikipedia:Enone
smiles: [*]\C([*])=C(\[*])C([*])=O
has OBO namespace: chebi_ontology
has related synonym: enones
in subset: 3 STAR

alpha,beta-unsaturated aldehyde
type: Class
subclass of: aldehyde
IAO_0000115: An aldehyde of general formula R(1)R(2)C=CR(3)-CH=O or RC#C-CH=O in which the aldehydic C=O function is conjugated to an unsaturated C-C bond at the alpha,beta position.
id: CHEBI:51718
has related synonym: alpha,beta-unsaturated aldehydes
has OBO namespace: chebi_ontology
in subset: 3 STAR

alpha,beta-unsaturated ketone
type: Class
subclass of: ketone
IAO_0000115: A ketone of general formula R(1)R(2)C=CR(3)-C(=O)R(4) (R(4) =/= H) or R(1)C#C-C(=O)R(2) (R(2) =/= H) in which the ketonic C=O function is conjugated to an unsaturated C-C bond at the alpha,beta position.
id: CHEBI:51721
has related synonym: alpha,beta-unsaturated ketones
has OBO namespace: chebi_ontology
in subset: 3 STAR

methyl ketone
type: Class
subclass of: ketone
IAO_0000115: A ketone of formula RC(=O)CH3 (R =/= H).
id: CHEBI:51867
has OBO namespace: chebi_ontology
has related synonym: methyl ketones
in subset: 3 STAR

alpha-diketone
type: Class
subclass of: diketone
IAO_0000115: A diketone that has its two ketone functionalities on adjacent atoms.
id: CHEBI:51869
has related synonym: alpha-diketones
has OBO namespace: chebi_ontology
in subset: 3 STAR

organic polycyclic compound
type: Class
subclass of: polycyclic compound
subclass of: organic cyclic compound
id: CHEBI:51958
has OBO namespace: chebi_ontology
has related synonym: organic polycyclic compounds
in subset: 3 STAR

organic tricyclic compound
type: Class
subclass of: organic polycyclic compound
id: CHEBI:51959
has OBO namespace: chebi_ontology
has related synonym: organic tricyclic compounds
in subset: 3 STAR

methoxide
type: Class
subclass of: organic anion
charge: -1
monoisotopicmass: 31.018
mass: 31.03390
IAO_0000115: An organic anion that is the conjugate base of methanol.
formula: CH3O
id: CHEBI:52090
smiles: C[O-]
inchi: InChI=1S/CH3O/c1-2/h1H3/q-1
inchikey: NBTOZLQBSIZIKS-UHFFFAOYSA-N
has db xref: Reaxys:1839368
has OBO namespace: chebi_ontology
has related synonym: methoxide ion
in subset: 3 STAR

ethoxide
type: Class
subclass of: organic anion
charge: -1
monoisotopicmass: 45.034
mass: 45.06050
IAO_0000115: An organic anion that is the conjugate base of ethanol.
has db xref: Beilstein:1839415
formula: C2H5O
smiles: CC[O-]
id: CHEBI:52092
inchikey: HHFAWKCIHAUFRX-UHFFFAOYSA-N
inchi: InChI=1S/C2H5O/c1-2-3/h2H2,1H3/q-1
has db xref: Reaxys:1839415
has OBO namespace: chebi_ontology
has related synonym: ethoxy anion
in subset: 3 STAR

biochemical role
type: Class
subclass of: biological role
IAO_0000115: A biological role played by the molecular entity or part thereof within a biochemical context.
id: CHEBI:52206
has OBO namespace: chebi_ontology
in subset: 3 STAR

biophysical role
type: Class
subclass of: biological role
id: CHEBI:52208
has OBO namespace: chebi_ontology
in subset: 1 STAR

aetiopathogenetic role
type: Class
subclass of: biological role
IAO_0000115: A role played by the molecular entity or part thereof which causes the development of a pathological process.
id: CHEBI:52209
has OBO namespace: chebi_ontology
has related synonym: etiopathogenetic agent
has related synonym: etiopathogenetic role
in subset: 3 STAR

pharmacological role
type: Class
subclass of: biological role
IAO_0000115: A biological role which describes how a drug interacts within a biological system and how the interactions affect its medicinal properties.
id: CHEBI:52210
has OBO namespace: chebi_ontology
in subset: 3 STAR

physiological role
type: Class
subclass of: biological role
id: CHEBI:52211
has OBO namespace: chebi_ontology
in subset: 1 STAR

ligand
type: Class
subclass of: chemical role
IAO_0000115: Any molecule or ion capable of binding to a central metal atom to form coordination complexes.
id: CHEBI:52214
has db xref: Wikipedia:Ligand
has OBO namespace: chebi_ontology
has related synonym: ligands
in subset: 3 STAR

photochemical role
type: Class
subclass of: chemical role
IAO_0000115: A chemical role played by the molecular entity or part thereof in a photochemical process.
id: CHEBI:52215
has OBO namespace: chebi_ontology
has related synonym: photochemical roles
in subset: 3 STAR

pharmaceutical
type: Class
subclass of: application
IAO_0000115: Any substance introduced into a living organism with therapeutic or diagnostic purpose.
has alternative id: CHEBI:33293
has alternative id: CHEBI:33294
id: CHEBI:52217
has OBO namespace: chebi_ontology
has related synonym: farmaco
has related synonym: medicament
has related synonym: pharmaceuticals
in subset: 3 STAR

apatite
type: Class
subclass of: phosphate mineral
IAO_0000115: A phosphate mineral with the general formula Ca5(PO4)3X where X = OH, F or Cl.
id: CHEBI:52254
has db xref: HMDB:HMDB0033610
has OBO namespace: chebi_ontology
has related synonym: hydroxyapatite
in subset: 3 STAR

hydroxylapatite
type: Class
subclass of: apatite
IAO_0000115: A phosphate mineral with the formula Ca5(PO4)3(OH).
id: CHEBI:52255
formula: Ca5HO13P3
has OBO namespace: chebi_ontology
in subset: 3 STAR

mitogen
type: Class
subclass of: biological role
IAO_0000115: A chemical substance that encourages a cell to commence cell division, triggering mitosis.
id: CHEBI:52290
has OBO namespace: chebi_ontology
has related synonym: mitogens
in subset: 3 STAR

oxyketone
type: Class
subclass of: ketone
IAO_0000115: A compound with the general formula R2C=O (R=/=H) where one or more of the R groups contains an oxy (-O-) group.
id: CHEBI:52395
has OBO namespace: chebi_ontology
has related synonym: oxyketones
in subset: 3 STAR

alpha-oxyketone
type: Class
subclass of: oxyketone
IAO_0000115: An oxyketone with the general formula R2C(=O) (R=/=H) where one or more of the R groups contains an oxy (-O-) group and the oxy and carbonyl groups are bonded to the same carbon atom.
id: CHEBI:52396
has related synonym: alpha-oxyketones
has OBO namespace: chebi_ontology
in subset: 3 STAR

EC 3.2.1.* (glycosidase) inhibitor
type: Class
subclass of: EC 3.2.* (glycosylase) inhibitor
IAO_0000115: An EC 3.2.* (glycosylase) inhibitor that interferes with the action of any glycosidase (i.e. enzymes hydrolysing O- and S-glycosyl compounds, EC 3.2.1.*).
id: CHEBI:52424
has alternative id: CHEBI:76776
has related synonym: EC 3.2.1.* (glycosidase) inhibitors
has related synonym: EC 3.2.1.* inhibitor
has related synonym: EC 3.2.1.* inhibitors
has OBO namespace: chebi_ontology
has related synonym: glycosidase (EC 3.2.1.*) inhibitor
has related synonym: glycosidase (EC 3.2.1.*) inhibitors
has related synonym: glycosidase inhibitor
has related synonym: glycosidase inhibitors
has related synonym: glycoside hydrolase inhibitors
in subset: 3 STAR

EC 3.2.1.18 (exo-alpha-sialidase) inhibitor
type: Class
subclass of: antiviral drug
subclass of: EC 3.2.1.* (glycosidase) inhibitor
IAO_0000115: An antiviral drug targeted at influenza viruses. Its mode of action consists of blocking the function of the viral neuraminidase protein (EC 3.2.1.18), thus preventing the virus from budding from the host cell.
id: CHEBI:52425
has related synonym: EC 3.2.1.18 (exo-alpha-sialidase) inhibitors
has related synonym: EC 3.2.1.18 inhibitor
has related synonym: EC 3.2.1.18 inhibitors
has related synonym: N-acylneuraminate glycohydrolase inhibitor
has related synonym: N-acylneuraminate glycohydrolase inhibitors
has related synonym: acetylneuraminidase inhibitor
has related synonym: acetylneuraminidase inhibitors
has related synonym: acetylneuraminyl hydrolase inhibitor
has related synonym: acetylneuraminyl hydrolase inhibitors
has related synonym: alpha-neuraminidase inhibitor
has related synonym: alpha-neuraminidase inhibitors
has OBO namespace: chebi_ontology
has related synonym: exo-alpha-sialidase (EC 3.2.1.18) inhibitor
has related synonym: exo-alpha-sialidase (EC 3.2.1.18) inhibitors
has related synonym: exo-alpha-sialidase inhibitor
has related synonym: exo-alpha-sialidase inhibitors
has related synonym: neuraminidase inhibitor
has related synonym: neuraminidase inhibitors
has related synonym: sialidase inhibitor
has related synonym: sialidase inhibitors
in subset: 3 STAR

galactolipid
type: Class
subclass of: glycolipid
IAO_0000115: A glycolipid and which the glyco component is specified as galactosyl.
id: CHEBI:5254
has related synonym: a galactolipid
has OBO namespace: chebi_ontology
in subset: 3 STAR

alkylglycerol
type: Class
subclass of: glycerol ether
IAO_0000115: A glycerol ether having at least one alkyl substituent on oxygen.
id: CHEBI:52575
has related synonym: O-alkylglycerol
has related synonym: O-alkylglycerols
has related synonym: alkylglycerols
has OBO namespace: chebi_ontology
in subset: 3 STAR

inorganic hydroxy compound
type: Class
subclass of: hydroxides
subclass of: inorganic molecular entity
id: CHEBI:52625
has OBO namespace: chebi_ontology
has related synonym: inorganic hydroxides
in subset: 3 STAR

cyclic organic group
type: Class
subclass of: organic group
IAO_0000115: An organic group that consists of a closed ring. It may be a substituent or a skeleton.
id: CHEBI:52845
has OBO namespace: chebi_ontology
has related synonym: cyclic organic groups
in subset: 3 STAR

sphingosylphosphocholine acid
type: Class
subclass of: quaternary ammonium ion
subclass of: phosphosphingolipid
subclass of: phosphocholines
charge: +1
has exact synonym: 2-{[{[(2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl]oxy}(hydroxy)phosphoryl]oxy}-N,N,N-trimethylethanaminium
monoisotopicmass: 465.346
mass: 465.62730
IAO_0000115: A cationic phosphosphingolipid consisting of sphingosine having a phosphocholine moiety attached to its primary hydroxyl group.
formula: C23H50N2O5P
id: CHEBI:52897
inchi: InChI=1S/C23H49N2O5P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26)22(24)21-30-31(27,28)29-20-19-25(2,3)4/h17-18,22-23,26H,5-16,19-21,24H2,1-4H3/p+1/b18-17+/t22-,23+/m0/s1
inchikey: JLVSPVFPBBFMBE-HXSWCURESA-O
has db xref: KEGG:C03640
has related synonym: Sphing-4-enine-1-phosphocholine
has related synonym: Sphingosyl-phosphocholine
has OBO namespace: chebi_ontology
has related synonym: sphingosylphosphocholine
has exact synonym: sphingosylphosphocholine acid
in subset: 3 STAR

epitope
type: Class
subclass of: biological role
id: CHEBI:53000
IAO_0000115: The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds.
has related synonym: antigenic determinant
has OBO namespace: chebi_ontology
has related synonym: epitope function
has related synonym: epitope role
in subset: 3 STAR

adenosine A2A receptor antagonist
type: Class
subclass of: adenosine receptor antagonist
IAO_0000115: An antagonist at the A2A receptor.
id: CHEBI:53121
has db xref: Wikipedia:Adenosine_A2A_receptor
has related synonym: adenosine A2A receptor antagonists
has OBO namespace: chebi_ontology
in subset: 3 STAR

isocyanates
type: Class
subclass of: organonitrogen compound
subclass of: organooxygen compound
id: CHEBI:53212
IAO_0000115: Organonitrogen compounds that are derivatives of isocyanic acid; compounds containing the isocyanate functional group -N=C=O (as opposed to the cyanate group, -O-C#N).
has OBO namespace: chebi_ontology
has related synonym: iso-cyanates
in subset: 3 STAR

2-halophenol
type: Class
subclass of: halophenol
charge: 0
has related synonym: 2-halophenols
monoisotopicmass: 93.034
mass: 93.10330
IAO_0000115: A halophenol in which the halogen atom is bonded to the carbon atom adjacent to the C-OH group.
formula: C6H5O
id: CHEBI:53291
smiles: Oc1ccccc1*
has OBO namespace: chebi_ontology
in subset: 3 STAR

3,3',5-triiodo-L-thyronine zwitterion
type: Class
subclass of: amino acid zwitterion
has exact synonym: (2S)-2-azaniumyl-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoate
has related synonym: (S)-2-Amino-3-[4-(4-hydroxy-3-iodo-phenoxy)-3,5-diiodo-phenyl]-propionic acid
charge: 0
has related synonym: 3,3',5-triiodo-L-thyronine
monoisotopicmass: 650.790
mass: 650.97350
inchikey: AUYYCJSJGJYCDS-LBPRGKRZSA-N
formula: C15H12I3NO4
id: CHEBI:533015
inchi: InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1
has db xref: MetaCyc:CPD-10813
IAO_0000115: The amino acid zwitterion formed from 3,3',5-triiodo-L-thyronine by tranfer of a proton from the carboxy group to the amino group. It is the major species at pH 7.3.
has OBO namespace: chebi_ontology
in subset: 3 STAR

polyanionic macromolecule
type: Class
subclass of: macromolecule
subclass of: ionic macromolecule
IAO_0000115: A polymer carrying multiple negative charges.
id: CHEBI:53309
has OBO namespace: chebi_ontology
has related synonym: polyanion
has related synonym: polyanions
in subset: 3 STAR

ionic macromolecule
type: Class
subclass of: macromolecule
IAO_0000115: A macromolecule containing ionic groups.
id: CHEBI:53368
has OBO namespace: chebi_ontology
has related synonym: ionic polymer
has related synonym: polyionic macromolecule
in subset: 3 STAR

globin
type: Class
subclass of: hemoprotein
id: CHEBI:5386
has db xref: COMe:PRX000257
has exact synonym: Globin
has db xref: KEGG:C06258
has OBO namespace: chebi_ontology
has related synonym: globins
has related synonym: pentacoordinate globin
in subset: 3 STAR

homovanillic acid
type: Class
subclass of: guaiacols
subclass of: monocarboxylic acid
has related synonym: (4-hydroxy-3-methoxyphenyl)acetic acid
charge: 0
monoisotopicmass: 182.058
mass: 182.17330
has exact synonym: 2-(4-hydroxy-3-methoxyphenyl)acetic acid
has related synonym: 3-Methoxy-4-hydroxyphenylacetate
has related synonym: 3-Methoxy-4-hydroxyphenylacetic acid
has related synonym: 4-Hydroxy-3-methoxybenzeneacetic acid
IAO_0000115: A monocarboxylic acid that is the 3-O-methyl ether of (3,4-dihydroxyphenyl)acetic acid. It is a catecholamine metabolite.
formula: C9H10O4
has db xref: CAS:306-08-1
id: CHEBI:545959
has alternative id: CHEBI:5758
smiles: COc1cc(CC(O)=O)ccc1O
has db xref: HMDB:HMDB0000118
has related synonym: HVA
has exact synonym: Homovanillic acid
inchi: InChI=1S/C9H10O4/c1-13-8-4-6(5-9(11)12)2-3-7(8)10/h2-4,10H,5H2,1H3,(H,11,12)
has db xref: KEGG:C05582
has db xref: KNApSAcK:C00029504
has db xref: MetaCyc:CPD-7651
has db xref: PMID:14688447
has db xref: PMID:24007816
has db xref: PMID:24416192
has db xref: PMID:24423636
has db xref: PMID:8353435
inchikey: QRMZSPFSDQBLIX-UHFFFAOYSA-N
has db xref: Reaxys:2213447
has related synonym: Vanillacetic acid
has db xref: Wikipedia:Homovanillic_acid
has OBO namespace: chebi_ontology
in subset: 3 STAR

gonadorelin
type: Class
subclass of: oligopeptide
subclass of: peptide hormone
charge: 0
monoisotopicmass: 1181.573
mass: 1182.29010
has exact synonym: 5-oxo-L-prolyl-L-histidyl-L-tryptophyl-L-seryl-L-tyrosylglycyl-L-leucyl-L-arginyl-L-prolylglycinamide
has related synonym: 5-oxo-PHWSYGLRPGNH2
IAO_0000115: A ten-membered synthetic oligopeptide comprising pyroglutamyl, histidyl, tryptophyl, seryl, tyrosyl, glycyl, leucyl, arginyl, prolyl and glycinamide residues joined in sequence.
formula: C55H75N17O13
has db xref: CAS:33515-09-2
id: CHEBI:5520
has db xref: DrugBank:DB00644
has db xref: Drug_Central:2958
has related synonym: Follicle-stimulating hormone-releasing factor
has related synonym: GnRH-I
has related synonym: Gonadoliberin I
has exact synonym: Gonadorelin
has related synonym: Gonadotropin-releasing factor
has related synonym: Gonadotropin-releasing hormone I
inchi: InChI=1S/C55H75N17O13/c1-29(2)19-38(49(80)67-37(9-5-17-60-55(57)58)54(85)72-18-6-10-43(72)53(84)62-25-44(56)75)66-46(77)26-63-47(78)39(20-30-11-13-33(74)14-12-30)68-52(83)42(27-73)71-50(81)40(21-31-23-61-35-8-4-3-7-34(31)35)69-51(82)41(22-32-24-59-28-64-32)70-48(79)36-15-16-45(76)65-36/h3-4,7-8,11-14,23-24,28-29,36-43,61,73-74H,5-6,9-10,15-22,25-27H2,1-2H3,(H2,56,75)(H,59,64)(H,62,84)(H,63,78)(H,65,76)(H,66,77)(H,67,80)(H,68,83)(H,69,82)(H,70,79)(H,71,81)(H4,57,58,60)/t36-,37-,38-,39-,40-,41-,42-,43-/m0/s1
has db xref: KEGG:C07607
has db xref: KEGG:D08027
has related synonym: LH-Releasing factor
has related synonym: LH-Releasing hormone
has related synonym: Luteinizing hormone-releasing factor
has db xref: PMID:21872303
has db xref: PMID:22112812
has db xref: PMID:22214466
has db xref: PMID:22289217
has db xref: PMID:22504307
has db xref: PMID:22761896
has db xref: Reaxys:741807
has db xref: Wikipedia:Gonadorelin
inchikey: XLXSAKCOAKORKW-AQJXLSMYSA-N
has OBO namespace: chebi_ontology
has related synonym: gonadorelin
has related synonym: gonadorelina
has related synonym: gonadorelinum
has related synonym: luliberin
has related synonym: p-Glu-His-Trp-Ser-Tyr-Gly-Leu-Arg-Pro-Gly-NH2
in subset: 3 STAR

imidazolidinone
type: Class
subclass of: imidazolidines
IAO_0000115: An imidazolidine containing one or more oxo groups.
id: CHEBI:55370
has OBO namespace: chebi_ontology
has related synonym: imidazolidinones
in subset: 3 STAR

halothane
type: Class
subclass of: haloalkane
subclass of: organochlorine compound
subclass of: organobromine compound
subclass of: organofluorine compound
charge: 0
has related synonym: 1,1,1-trifluoro-2-bromo-2-chloroethane
has related synonym: 1,1,1-trifluoro-2-chloro-2-bromoethane
has related synonym: 1-bromo-1-chloro-2,2,2-trifluoroethane
monoisotopicmass: 195.890
mass: 197.38125
has related synonym: 2,2,2-trifluoro-1-chloro-1-bromoethane
has related synonym: 2-bromo-2-chloro-1,1,1-trifluoroethane
has exact synonym: 2-bromo-2-chloro-1,1,1-trifluoroethane
IAO_0000115: A haloalkane comprising ethane having three flouro substituents at the 1-position as well as bromo- and chloro substituents at the 2-position.
inchikey: BCQZXOMGPXTTIC-UHFFFAOYSA-N
has db xref: Beilstein:1736947
formula: C2HBrClF3
has db xref: CAS:151-67-7
id: CHEBI:5615
has db xref: DrugBank:DB01159
has db xref: Drug_Central:1356
has related synonym: Fluothane
has db xref: Gmelin:793752
has exact synonym: Halothane
inchi: InChI=1S/C2HBrClF3/c3-1(4)2(5,6)7/h1H
has db xref: KEGG:C07515
has db xref: KEGG:D00542
has related synonym: Narcotane
has db xref: PMID:7519986
has related synonym: Phthorothanum
has related synonym: Rhodialothan
has db xref: VSDB:1806
has db xref: Wikipedia:Halothane
smiles: [H]C(Cl)(Br)C(F)(F)F
has related synonym: bromochlorotrifluoroethane
has OBO namespace: chebi_ontology
in subset: 3 STAR

heptan-2-one
type: Class
subclass of: dialkyl ketone
subclass of: methyl ketone
charge: 0
monoisotopicmass: 114.104
mass: 114.18546
has related synonym: 2-Heptanone
IAO_0000115: A dialkyl ketone with methyl and pentyl as the alkyl groups.
has db xref: Beilstein:1699063
formula: C7H14O
has db xref: CAS:110-43-0
inchikey: CATSNJVOTSVZJV-UHFFFAOYSA-N
smiles: CCCCCC(C)=O
id: CHEBI:5672
has db xref: Gmelin:305860
has exact synonym: Heptan-2-one
inchi: InChI=1S/C7H14O/c1-3-4-5-6-7(2)8/h3-6H2,1-2H3
has db xref: KEGG:C08380
has db xref: KNApSAcK:C00001254
has db xref: LIPID_MAPS_instance:LMFA12000004
has related synonym: Methyl n-amyl ketone
has db xref: PMID:12769891
has db xref: PMID:14759148
has db xref: PMID:16025460
has db xref: PMID:20416794
has db xref: PMID:2270874
has db xref: Reaxys:1699063
has db xref: Wikipedia:2-Heptanone
has related synonym: butylacetone
has OBO namespace: chebi_ontology
has exact synonym: heptan-2-one
has related synonym: methyl pentyl ketone
has related synonym: n-amyl methyl ketone
has related synonym: n-pentyl methyl ketone
in subset: 3 STAR

heterocyclic compound
type: Class
subclass of: cyclic compound
IAO_0000115: A cyclic compound having as ring members atoms of at least two different elements.
id: CHEBI:5686
has exact synonym: Heterocyclic compound
has OBO namespace: chebi_ontology
has related synonym: compuesto heterociclico
has related synonym: compuestos heterociclicos
has related synonym: heterocycle
has related synonym: heterocyclic compounds
in subset: 3 STAR

ATP(3-)
type: Class
subclass of: ribonucleoside triphosphate oxoanion
charge: -3
monoisotopicmass: 503.972
mass: 504.15720
IAO_0000115: A ribonucleoside triphosphate oxoanion that is the trianion of adenosine 5'-triphosphate arising from deprotonation of three of the four free triphosphate OH groups.
has exact synonym: ATP(3-)
has db xref: Beilstein:9535056
formula: C10H13N5O13P3
id: CHEBI:57299
smiles: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OP(O)([O-])=O)[C@@H](O)[C@H]1O
inchikey: ZKHQWZAMYRWXGA-KQYNXXCUSA-K
has OBO namespace: chebi_ontology
in subset: 3 STAR

glycine zwitterion
type: Class
subclass of: amino acid zwitterion
charge: 0
has exact synonym: 2-azaniumylacetate
monoisotopicmass: 75.032
mass: 75.06660
IAO_0000115: An amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of glycine.
formula: C2H5NO2
id: CHEBI:57305
inchikey: DHMQDGOQFOQNFH-UHFFFAOYSA-N
has db xref: Gmelin:1807
inchi: InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)
has db xref: MetaCyc:GLY
smiles: [NH3+]CC([O-])=O
has OBO namespace: chebi_ontology
has related synonym: glycine
in subset: 3 STAR

sarcosine zwitterion
type: Class
subclass of: N-alkylglycine zwitterion
has related synonym: (methylammonio)acetate
has exact synonym: (methylazaniumyl)acetate
charge: 0
has related synonym: 2-(methylazaniumyl)acetate
monoisotopicmass: 89.048
mass: 89.09320
IAO_0000115: An amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of sarcosine; major species at pH 7.3.
formula: C3H7NO2
id: CHEBI:57433
smiles: C[NH2+]CC([O-])=O
inchikey: FSYKKLYZXJSNPZ-UHFFFAOYSA-N
has db xref: Gmelin:323777
inchi: InChI=1S/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6)
has db xref: MetaCyc:SARCOSINE
has OBO namespace: chebi_ontology
has related synonym: sarcosine
in subset: 3 STAR

carnosine zwitterion
type: Class
subclass of: amino acid zwitterion
has related synonym: (2S)-2-[(3-azaniumylpropanoyl)amino]-3-(1H-imidazol-4-yl)propanoate
charge: 0
monoisotopicmass: 226.107
mass: 226.23250
formula: C9H14N4O3
id: CHEBI:57485
inchikey: CQOVPNPJLQNMDC-ZETCQYMHSA-N
has db xref: Gmelin:397437
inchi: InChI=1S/C9H14N4O3/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6/h4-5,7H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16)/t7-/m0/s1
has exact synonym: N(alpha)-(beta-alaniniumyl)-L-histidinate
IAO_0000115: Zwitterionic form of carnosine.
smiles: [NH3+]CCC(=O)N[C@@H](Cc1c[nH]cn1)C([O-])=O
has related synonym: carnosine
has OBO namespace: chebi_ontology
in subset: 3 STAR

long-chain fatty acid anion
type: Class
subclass of: fatty acid anion
charge: -1
monoisotopicmass: 43.990
IAO_0000115: A fatty acid anion with a chain length of C13 or greater.
has alternative id: CHEBI:13652
id: CHEBI:57560
formula: CO2R
smiles: [O-]C([*])=O
has related synonym: a long-chain carboxylate
has related synonym: a long-chain fatty acid
has OBO namespace: chebi_ontology
has related synonym: long-chain fatty acid anions
in subset: 3 STAR

5-oxoprolinate
type: Class
subclass of: alpha-amino-acid anion
charge: -1
monoisotopicmass: 128.035
mass: 128.10600
has related synonym: 5-oxoprolinate anion
has related synonym: 5-oxoproline
has exact synonym: 5-oxopyrrolidine-2-carboxylate
has related synonym: 5-oxopyrrolidine-2-carboxylate
has db xref: Beilstein:4135383
formula: C5H6NO3
id: CHEBI:57606
has db xref: Gmelin:327019
inchi: InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/p-1
inchikey: ODHCTXKNWHHXJC-UHFFFAOYSA-M
has related synonym: Pyroglutamate
IAO_0000115: The conjugate base of 5-oxoproline.
smiles: [O-]C(=O)C1CCC(=O)N1
has OBO namespace: chebi_ontology
in subset: 3 STAR

gamma-amino-beta-hydroxybutyric acid zwitterion
type: Class
subclass of: amino acid zwitterion
charge: 0
monoisotopicmass: 119.058
mass: 119.11920
has related synonym: 4-amino-3-hydroxybutanoate
has related synonym: 4-ammonio-3-hydroxybutanoate
has exact synonym: 4-azaniumyl-3-hydroxybutanoate
formula: C4H9NO3
id: CHEBI:57630
inchi: InChI=1S/C4H9NO3/c5-2-3(6)1-4(7)8/h3,6H,1-2,5H2,(H,7,8)
inchikey: YQGDEPYYFWUPGO-UHFFFAOYSA-N
IAO_0000115: Zwitterionic form of gamma-amino-beta-hydroxybutyric acid having an anionic carboxy group and a protonated amino group.
smiles: [NH3+]CC(O)CC([O-])=O
has OBO namespace: chebi_ontology
in subset: 3 STAR

chondroitin D-glucuronate anion
type: Class
subclass of: polyanionic polymer
IAO_0000115: Anionic form of chondroitin D-glucuronate arising from deprotonation of the carboxylic acid groups of the repeating units; major species at pH 7.3.
id: CHEBI:57652
formula: H2O(C14H20NO11)n
has OBO namespace: chebi_ontology
has related synonym: chondroitin D-glucuronate
has related synonym: chondroitin D-glucuronate polyanion
in subset: 3 STAR

N-acylglycinate
type: Class
subclass of: carboxylic acid anion
charge: -1
monoisotopicmass: 101.011
mass: 101.06080
IAO_0000115: A carboxylic acid anion obtained by deprotonation of the carboxy group of any N-acylglycine.
formula: C3H3NO3R
id: CHEBI:57670
smiles: [O-]C(=O)CNC([*])=O
has related synonym: an N-acylglycine
has OBO namespace: chebi_ontology
in subset: 3 STAR

D-proline zwitterion
type: Class
subclass of: D-alpha-amino acid zwitterion
has exact synonym: (2R)-pyrrolidinium-2-carboxylate
charge: 0
monoisotopicmass: 115.063
mass: 115.13050
IAO_0000115: A D-alpha-amino acid zwitterion that is D-proline in which a proton has been transferred from the carboxy group to the amino group. It is the major species at pH 7.3.
formula: C5H9NO2
id: CHEBI:57726
has related synonym: D-proline
inchi: InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1
has db xref: MetaCyc:D-PROLINE
inchikey: ONIBWKKTOPOVIA-SCSAIBSYSA-N
smiles: [O-]C(=O)[C@H]1CCC[NH2+]1
has OBO namespace: chebi_ontology
in subset: 3 STAR

sphingosine(1+)
type: Class
subclass of: sphingoid base(1+)
has exact synonym: (2S,3R,4E)-1,3-dihydroxyoctadec-4-en-2-aminium
charge: +1
monoisotopicmass: 300.290
mass: 300.49980
formula: C18H38NO2
smiles: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H]([NH3+])CO
id: CHEBI:57756
inchi: InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3/p+1/b15-14+/t17-,18+/m0/s1
IAO_0000115: The cationic sphingoid resulting from the protonation of the amino group of sphingosine.
inchikey: WWUZIQQURGPMPG-KRWOKUGFSA-O
has OBO namespace: chebi_ontology
has related synonym: sphing-4-enine
in subset: 3 STAR

nucleoside 5'-phosphate dianion
type: Class
subclass of: organophosphate oxoanion
charge: -2
monoisotopicmass: 193.998
mass: 194.07920
formula: C5H7O6PR2
id: CHEBI:57867
IAO_0000115: The conjugate base of a nucleoside 5'-phosphate.
has related synonym: a nucleoside 5'-phosphate
has OBO namespace: chebi_ontology
has related synonym: nucleoside 5'-phosphate dianions
in subset: 3 STAR

tryptaminium
type: Class
subclass of: ammonium ion
charge: +1
monoisotopicmass: 161.108
mass: 161.22310
has exact synonym: 2-(1H-indol-3-yl)ethanaminium
inchikey: APJYDQYYACXCRM-UHFFFAOYSA-O
IAO_0000115: An ammonium ion that is the conjugate acid of tryptamine arising from protonation of the primary amino group; major species at pH 7.3.
formula: C10H13N2
id: CHEBI:57887
has db xref: Gmelin:533978
inchi: InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2/p+1
smiles: [NH3+]CCc1c[nH]c2ccccc12
has OBO namespace: chebi_ontology
has related synonym: tryptamine
has related synonym: tryptaminium cation
has related synonym: tryptaminium(1+)
in subset: 3 STAR

glutathionate(1-)
type: Class
subclass of: peptide anion
charge: -1
monoisotopicmass: 306.076
mass: 306.317
IAO_0000115: A peptide anion obtained by deprotonation of both carboxy groups and protonation of the glutamyl amino group of glutathione; major species at pH 7.3.
formula: C10H16N3O6S
id: CHEBI:57925
inchi: InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p-1/t5-,6-/m0/s1
has db xref: PMID:4200890
has db xref: PMID:4745654
inchikey: RWSXRVCMGQZWBV-WDSKDSINSA-M
has OBO namespace: chebi_ontology
has related synonym: glutathionate
has related synonym: glutathionate anion
has related synonym: glutathionate ion
has related synonym: glutathione
in subset: 3 STAR

nucleoside 5'-diphosphate(3-)
type: Class
subclass of: organophosphate oxoanion
charge: -3
monoisotopicmass: 289.959
mass: 305.09310
formula: C5H8O10P2R
id: CHEBI:57930
smiles: C[C@@H]1O[C@H](COP([O-])(=O)OP([O-])([O-])=O)[C@@H](O)[C@H]1O
has related synonym: NDP trianion
has related synonym: NDP(3-)
IAO_0000115: Trianion of nucleoside diiphosphate arising from deprotonation of all three free OH groups of the diphosphate; major species at pH 7.3.
has related synonym: a ribonucleoside 5'-diphosphate
has OBO namespace: chebi_ontology
has related synonym: nucleoside diphosphate trianion
has related synonym: ribonucleoside diphosphate trianion
has related synonym: ribonucleoside diphosphate(3-)
in subset: 3 STAR

creatine zwitterion
type: Class
subclass of: amino acid zwitterion
charge: 0
monoisotopicmass: 131.069
mass: 131.13320
formula: C4H9N3O2
id: CHEBI:57947
smiles: CN(CC([O-])=O)C(N)=[NH2+]
inchikey: CVSVTCORWBXHQV-UHFFFAOYSA-N
inchi: InChI=1S/C4H9N3O2/c1-7(4(5)6)2-3(8)9/h2H2,1H3,(H3,5,6)(H,8,9)
has db xref: MetaCyc:CREATINE
IAO_0000115: Zwitterionic form of creatine arising from transfer of a proton from the carboxy to the guanidino group; major species at pH 7.3.
has OBO namespace: chebi_ontology
has related synonym: creatine
in subset: 3 STAR

5-oxo-D-prolinate
type: Class
subclass of: alpha-amino-acid anion
has exact synonym: (2R)-5-oxopyrrolidine-2-carboxylate
charge: -1
monoisotopicmass: 128.035
mass: 128.10600
has exact synonym: 5-oxo-D-prolinate
has related synonym: 5-oxo-D-prolinate anion
has related synonym: 5-oxo-D-prolinate(1-)
has related synonym: 5-oxo-D-proline
formula: C5H6NO3
id: CHEBI:57948
inchi: InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/p-1/t3-/m1/s1
inchikey: ODHCTXKNWHHXJC-GSVOUGTGSA-M
IAO_0000115: The conjugate base of 5-oxo-D-proline; major species at pH 7.3.
smiles: [O-]C(=O)[C@H]1CCC(=O)N1
has OBO namespace: chebi_ontology
in subset: 3 STAR

beta-alanine zwitterion
type: Class
subclass of: amino acid zwitterion
charge: 0
has related synonym: 3-ammoniopropanoate
has exact synonym: 3-azaniumylpropanoate
monoisotopicmass: 89.048
mass: 89.09320
formula: C3H7NO2
id: CHEBI:57966
has db xref: Gmelin:454332
inchi: InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)
inchikey: UCMIRNVEIXFBKS-UHFFFAOYSA-N
IAO_0000115: Zwitterionic form of beta-alanine arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3.
smiles: [NH3+]CCC([O-])=O
has related synonym: beta-alanine
has OBO namespace: chebi_ontology
in subset: 3 STAR

bilirubin(2-)
type: Class
subclass of: dicarboxylic acid dianion
subclass of: linear tetrapyrrole anion
charge: -2
has related synonym: 2,7,13,17-tetramethyl-1,19-dioxo-3,18-divinyl-1,10,19,22,23,24-hexahydro-21H-biline-8,12-dipropanoate
monoisotopicmass: 582.248
mass: 582.64630
IAO_0000115: A dicarboxylic acid dianion obtained by deprotonation of the two carboxy groups of bilirubin; major species at pH 7.3.
inchikey: BPYKTIZUTYGOLE-IFADSCNNSA-L
has db xref: Beilstein:4083310
formula: C33H34N4O6
id: CHEBI:57977
inchi: InChI=1S/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-14,34-35H,1-2,9-12,15H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/p-2/b26-13-,27-14-
has related synonym: bilirubin IXalpha
has related synonym: bilirubin dianion
has OBO namespace: chebi_ontology
in subset: 3 STAR

primary aliphatic ammonium ion
type: Class
subclass of: primary ammonium ion
charge: +1
monoisotopicmass: 31.042
mass: 31.05710
formula: CH5NR
id: CHEBI:58001
IAO_0000115: The conjugate acid of a primary aliphatic amine.
smiles: [NH3+]C[*]
has related synonym: an aliphatic amine
has OBO namespace: chebi_ontology
has related synonym: primary aliphatic ammonium cation
has related synonym: primary aliphatic ammonium cations
has related synonym: primary aliphatic ammonium ions
in subset: 3 STAR

octopaminium
type: Class
subclass of: organic cation
subclass of: ammonium ion
charge: +1
has related synonym: 1-(4-hydroxyphenyl)-2-aminoethanol
monoisotopicmass: 154.087
mass: 154.18640
has related synonym: 2-hydroxy-2-(4-hydroxyphenyl)ethan-1-aminium
has exact synonym: 2-hydroxy-2-(4-hydroxyphenyl)ethanaminium
has related synonym: 4-(2-ammonio-1-hydroxyethyl)phenol
has related synonym: 4-(2-azaniumyl-1-hydroxyethyl)phenol
formula: C8H12NO2
id: CHEBI:58025
inchi: InChI=1S/C8H11NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H,5,9H2/p+1
inchikey: QHGUCRYDKWKLMG-UHFFFAOYSA-O
IAO_0000115: The conjugate acid of octopamine; major species at pH 7.3.
smiles: [NH3+]CC(O)c1ccc(O)cc1
has OBO namespace: chebi_ontology
has related synonym: octopaminium cation
has related synonym: octopaminium(1+)
in subset: 3 STAR

nucleoside 5'-monophosphate(2-)
type: Class
subclass of: organophosphate oxoanion
charge: -2
monoisotopicmass: 211.001
mass: 211.08660
has related synonym: 5'-ribonucleotide(2-)
formula: C5H8O7PR
id: CHEBI:58043
has alternative id: CHEBI:85513
smiles: O[C@@H]1[C@H](O)[C@@H](COP([O-])([O-])=O)O[C@H]1[*]
IAO_0000115: The dianion of a nucleoside monophosphate: major species at pH 7.3.
has related synonym: a ribonucleoside 5'-phosphate
has OBO namespace: chebi_ontology
has related synonym: nucleoside monophosphate anion
has related synonym: nucleoside monophosphate anions
has related synonym: nucleoside monophosphate dianion
has related synonym: nucleoside monophosphate dianions
in subset: 3 STAR

homocysteine zwitterion
type: Class
subclass of: amino acid zwitterion
charge: 0
monoisotopicmass: 135.035
mass: 135.18500
has related synonym: 2-ammonio-4-sulfanylbutanoate
has exact synonym: 2-azaniumyl-4-sulfanylbutanoate
IAO_0000115: An amino acid zwitterion of homocysteine arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3.
formula: C4H9NO2S
id: CHEBI:58065
inchikey: FFFHZYDWPBMWHY-UHFFFAOYSA-N
inchi: InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)
smiles: [NH3+]C(CCS)C([O-])=O
has OBO namespace: chebi_ontology
in subset: 3 STAR

nucleoside triphosphate(3-)
type: Class
subclass of: ribonucleoside triphosphate oxoanion
charge: -3
monoisotopicmass: 369.926
mass: 385.07300
formula: C5H9O13P3R
id: CHEBI:58104
smiles: C[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OP(O)([O-])=O)[C@@H](O)[C@H]1O
has related synonym: NTP trianion
has related synonym: NTP(3-)
IAO_0000115: Trianion of nucleoside triphosphate arising from deprotonation of three of the four free triphosphate OH groups; major species at pH 7.3.
has OBO namespace: chebi_ontology
has related synonym: nucleoside triphosphate trianion
has related synonym: ribonucleoside triphosphate trianion
has related synonym: ribonucleoside triphosphate(3-)
in subset: 3 STAR

(2S)-2-hydroxy monocarboxylic acid anion
type: Class
subclass of: hydroxy monocarboxylic acid anion
has related synonym: (2S)-2-hydroxy monocarboxylate
has related synonym: (2S)-2-hydroxy monocarboxylates
has related synonym: (2S)-2-hydroxy monocarboxylic acid anions
has related synonym: (2S)-2-hydroxycarboxylate
has related synonym: (2S)-alpha-hydroxy monocarboxylic acid anion
has related synonym: (2S)-alpha-hydroxy monocarboxylic acid anions
has related synonym: (S)-2-hydroxyacid anion
has related synonym: (S)-2-hydroxyacid anions
charge: -1
monoisotopicmass: 74.000
mass: 74.03550
IAO_0000115: A hydroxy monocarboxylic acid anion where the hydroxy group is placed at position 2 (alpha to the carboxy group) and has (S)-stereochemistry; major species at pH 7.3.
formula: C2H2O3R
id: CHEBI:58123
has alternative id: CHEBI:61394
has alternative id: CHEBI:70794
smiles: O[C@@H]([*])C([O-])=O
has db xref: PMID:10850983
has related synonym: a (2S)-2-hydroxycarboxylate
has OBO namespace: chebi_ontology
in subset: 3 STAR

porphobilinogen(1-)
type: Class
subclass of: dicarboxylic acid anion
charge: -1
monoisotopicmass: 225.088
mass: 225.22120
has exact synonym: 3-[5-(azaniumylmethyl)-4-(carboxylatomethyl)-1H-pyrrol-3-yl]propanoate
formula: C10H13N2O4
id: CHEBI:58126
IAO_0000115: Conjugate base of porphobilinogen arising from deprotonation of the two carboxy groups and protonation of the amino group; major species at pH 7.3.
inchi: InChI=1S/C10H14N2O4/c11-4-8-7(3-10(15)16)6(5-12-8)1-2-9(13)14/h5,12H,1-4,11H2,(H,13,14)(H,15,16)/p-1
inchikey: QSHWIQZFGQKFMA-UHFFFAOYSA-M
smiles: [NH3+]Cc1[nH]cc(CCC([O-])=O)c1CC([O-])=O
has OBO namespace: chebi_ontology
has related synonym: porphobilinogen
has related synonym: porphobilinogen anion
in subset: 3 STAR

homocystine zwitterion
type: Class
subclass of: amino acid zwitterion
charge: 0
monoisotopicmass: 268.055
mass: 268.356
has related synonym: 4,4'-disulfanediylbis(2-ammoniobutanoate)
has exact synonym: 4,4'-disulfanediylbis(2-azaniumylbutanoate)
smiles: C(C(CCSSCCC(C(=O)[O-])[NH3+])[NH3+])([O-])=O
formula: C8H16N2O4S2
id: CHEBI:58163
IAO_0000115: Dizwitterionic form of homocystine arising from transfer of two protons from the carboxy to the amino groups; major species at pH 7.3.
inchi: InChI=1S/C8H16N2O4S2/c9-5(7(11)12)1-3-15-16-4-2-6(10)8(13)14/h5-6H,1-4,9-10H2,(H,11,12)(H,13,14)
inchikey: ZTVZLYBCZNMWCF-UHFFFAOYSA-N
has OBO namespace: chebi_ontology
has related synonym: homocystine dizwitterion
in subset: 3 STAR

3',5'-cyclic AMP(1-)
type: Class
subclass of: organophosphate oxoanion
charge: -1
has related synonym: 3',5'-cyclic AMP
has related synonym: 3',5'-cyclic AMP anion
monoisotopicmass: 328.045
mass: 328.19800
IAO_0000115: An organophosphate oxoanion that is the conjugate base of 3',5'-cyclic AMP arising from deprotonation of the free phosphate OH group; major species at pH 7.3.
formula: C10H11N5O6P
id: CHEBI:58165
inchikey: IVOMOUWHDPKRLL-KQYNXXCUSA-M
inchi: InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/p-1/t4-,6-,7-,10-/m1/s1
smiles: Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]2COP([O-])(=O)O[C@H]2[C@H]1O
has db xref: PMID:7870041
has db xref: PMID:7870042
has db xref: Reaxys:3720459
has related synonym: adenosine 3',5'-cyclic monophosphate
has related synonym: adenosine 3',5'-cyclic monophosphate anion
has related synonym: adenosine 3',5'-cyclic monophosphate(1-)
has exact synonym: adenosine 3',5'-phosphate
has OBO namespace: chebi_ontology
in subset: 3 STAR

O-phosphonatoethanaminium(1-)
type: Class
subclass of: organophosphate oxoanion
charge: -1
monoisotopicmass: 140.011
mass: 140.05500
has related synonym: 2-ammonioethyl phosphate
has exact synonym: 2-azaniumylethyl phosphate
IAO_0000115: An organophosphate oxoanion that is the conjugate base of O-phosphoethanolamine arising from deprotonation of the phosphate OH groups and protonation of the amino group; major species at pH 7.3.
formula: C2H7NO4P
id: CHEBI:58190
inchi: InChI=1S/C2H8NO4P/c3-1-2-7-8(4,5)6/h1-3H2,(H2,4,5,6)/p-1
has related synonym: O-phosphonatoethanaminium
inchikey: SUHOOTKUPISOBE-UHFFFAOYSA-M
smiles: [NH3+]CCOP([O-])([O-])=O
has OBO namespace: chebi_ontology
has related synonym: phosphoethanolamine
in subset: 3 STAR

(2R)-2-hydroxy monocarboxylic acid anion
type: Class
subclass of: hydroxy monocarboxylic acid anion
has related synonym: (2R)-2-hydroxy monocarboxylic acid anions
has related synonym: (2R)-2-hydroxycarboxylate
has related synonym: (2R)-alpha-hydroxy monocarboxylic acid anion
has related synonym: (2R)-alpha-hydroxy monocarboxylic acid anions
has related synonym: (R)-2-hydroxyacid anion
has related synonym: (R)-2-hydroxyacid anions
charge: -1
monoisotopicmass: 74.000
IAO_0000115: A hydroxy monocarboxylic acid anion where the hydroxy group is placed at position 2 (alpha to the carboxy group) and has (R)-stereochemistry; major species at pH 7.3.
formula: C2H2O3R
id: CHEBI:58314
has db xref: MetaCyc:2R-hydroxy-carboxylates
smiles: O[C@H]([*])C([O-])=O
has related synonym: a (2R)-2-hydroxycarboxylate
has OBO namespace: chebi_ontology
in subset: 3 STAR

trans-4-hydroxy-L-proline zwitterion
type: Class
subclass of: L-alpha-amino acid zwitterion
has exact synonym: (2S,4R)-4-hydroxypyrrolidinium-2-carboxylate
charge: 0
monoisotopicmass: 131.058
mass: 131.12990
IAO_0000115: An L-alpha-amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of trans-4-hydroxy-L-proline; major species at pH 7.3.
formula: C5H9NO3
id: CHEBI:58375
inchi: InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1
smiles: O[C@H]1C[NH2+][C@@H](C1)C([O-])=O
inchikey: PMMYEEVYMWASQN-DMTCNVIQSA-N
has OBO namespace: chebi_ontology
has related synonym: hydroxyproline zwitterion
has related synonym: trans-4-hydroxy-L-proline
in subset: 3 STAR

trimethylammonium
type: Class
subclass of: ammonium ion
charge: +1
monoisotopicmass: 60.081
mass: 60.11820
IAO_0000115: An ammonium ion that is the conjugate acid of trimethylamine, obtained via protonation of the nitrogen; major species at pH 7.3.
formula: C3H10N
id: CHEBI:58389
smiles: C[NH+](C)C
inchikey: GETQZCLCWQTVFV-UHFFFAOYSA-O
inchi: InChI=1S/C3H9N/c1-4(2)3/h1-3H3/p+1
has db xref: MetaCyc:TRIMETHYLAMINE
has exact synonym: N,N-dimethylmethanaminium
has db xref: Reaxys:16709444
has OBO namespace: chebi_ontology
has related synonym: trimethylamine
has related synonym: trimethylammonium cation
has related synonym: trimethylazanium
has related synonym: trimethylazanium cation
in subset: 3 STAR

5-oxo-L-prolinate
type: Class
subclass of: L-alpha-amino acid anion
has exact synonym: (2S)-5-oxopyrrolidine-2-carboxylate
charge: -1
monoisotopicmass: 128.035
mass: 128.10600
has exact synonym: 5-oxo-L-prolate
has related synonym: 5-oxo-L-proline
has db xref: Beilstein:4783230
formula: C5H6NO3
id: CHEBI:58402
IAO_0000115: Conjugate base of 5-oxo-L-proline.
has db xref: Gmelin:675391
inchi: InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/p-1/t3-/m0/s1
has db xref: MetaCyc:5-OXOPROLINE
inchikey: ODHCTXKNWHHXJC-VKHMYHEASA-M
smiles: [O-]C(=O)[C@@H]1CCC(=O)N1
has OBO namespace: chebi_ontology
in subset: 3 STAR

4-hydroxy-L-proline zwitterion
type: Class
subclass of: 4-hydroxyproline zwitterion
has exact synonym: (2S)-4-hydroxypyrrolidinium-2-carboxylate
charge: 0
monoisotopicmass: 131.058
mass: 131.12990
has related synonym: 4-hydroxy-L-proline
formula: C5H9NO3
id: CHEBI:58419
inchi: InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3?,4-/m0/s1
smiles: OC1C[NH2+][C@@H](C1)C([O-])=O
inchikey: PMMYEEVYMWASQN-BKLSDQPFSA-N
IAO_0000115: The amino acid zwitterion formed from 4-hydroxy-L-proline. It is the major microspecies present at pH 7.3.
has OBO namespace: chebi_ontology
in subset: 3 STAR

histaminium
type: Class
subclass of: ammonium ion
charge: +1
monoisotopicmass: 112.087
mass: 112.15300
has exact synonym: 2-(1H-imidazol-4-yl)ethanaminium
IAO_0000115: An ammonium ion that is the conjugate acid of histamine protonated on the side-chain nitrogen.
formula: C5H10N3
id: CHEBI:58432
inchi: InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)/p+1
inchikey: NTYJJOPFIAHURM-UHFFFAOYSA-O
smiles: [NH3+]CCc1c[nH]cn1
has OBO namespace: chebi_ontology
has related synonym: histamine
has related synonym: histaminium cation
in subset: 3 STAR

nucleoside 3',5'-cyclic phosphate anion
type: Class
subclass of: organophosphate oxoanion
charge: -1
monoisotopicmass: 176.995
mass: 177.07190
formula: C5H6O5PR2
id: CHEBI:58464
IAO_0000115: The conjugate base of a nucleoside 3',5'-cyclic phosphate.
has related synonym: a nucleoside 3',5'-cyclic phosphate
has OBO namespace: chebi_ontology
has related synonym: nucleoside 3',5'-cyclic phosphate anions
in subset: 3 STAR

dermatan sulfate polyanion
type: Class
subclass of: monocarboxylic acid anion
subclass of: organosulfate oxoanion
subclass of: polyanionic polymer
id: CHEBI:58465
formula: H2O.(C14H219NO14S)n
IAO_0000115: The conjugate base of dermatan sulfate, obtained by deprotonation of carboxy and sulfate groups.
has OBO namespace: chebi_ontology
has related synonym: dermatan 4'-sulfate
in subset: 3 STAR

sphingosine-1-phosphocholine(1+)
type: Class
subclass of: ammonium ion
subclass of: sphingoid-1-phosphocholine(1+)
has exact synonym: (2S,3R,4E)-2-azaniumyl-3-hydroxyoctadec-4-en-1-yl 2-(trimethylazaniumyl)ethyl phosphate
charge: +1
monoisotopicmass: 465.346
mass: 465.62730
IAO_0000115: An ammonium ion that is the conjugate acid of sphingosylphosphocholine, obtained by protonation of the amino group. Major species at pH 7.3.
formula: C23H50N2O5P
smiles: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H]([NH3+])COP([O-])(=O)OCC[N+](C)(C)C
id: CHEBI:58906
inchi: InChI=1S/C23H49N2O5P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26)22(24)21-30-31(27,28)29-20-19-25(2,3)4/h17-18,22-23,26H,5-16,19-21,24H2,1-4H3/p+1/b18-17+/t22-,23+/m0/s1
inchikey: JLVSPVFPBBFMBE-HXSWCURESA-O
has OBO namespace: chebi_ontology
has related synonym: sphing-4-enine-phosphocholine
has related synonym: sphingosylphosphorylcholine(1+)
in subset: 3 STAR

organophosphate oxoanion
type: Class
subclass of: organic anion
subclass of: phosphoric acid derivative
IAO_0000115: An organic phosphoric acid derivative in which one or more oxygen atoms of the phosphate group(s) has been deprotonated.
id: CHEBI:58945
has OBO namespace: chebi_ontology
has related synonym: organophosphate oxoanions
in subset: 3 STAR

short-chain fatty acid anion
type: Class
subclass of: fatty acid anion
charge: -1
monoisotopicmass: 43.990
IAO_0000115: Any fatty acid anion obtained by removal of a proton from the carboxy group of a short-chain fatty acid (chain length of less than C6).
id: CHEBI:58951
formula: CO2R
smiles: [O-]C([*])=O
has related synonym: a short-chain fatty acid
has OBO namespace: chebi_ontology
has related synonym: short-chain fatty acid anions
in subset: 3 STAR

saturated fatty acid anion
type: Class
subclass of: fatty acid anion
IAO_0000115: Any fatty acid anion in which there is no C-C unsaturation.
id: CHEBI:58953
has related synonym: a saturated fatty acid
has OBO namespace: chebi_ontology
has related synonym: saturated fatty acid anions
in subset: 3 STAR

straight-chain saturated fatty acid anion
type: Class
subclass of: saturated fatty acid anion
IAO_0000115: Any saturated fatty acid anion lacking a carbon side-chain.
id: CHEBI:58954
has OBO namespace: chebi_ontology
has related synonym: straight-chain saturated fatty acid anions
in subset: 3 STAR

branched-chain fatty acid anion
type: Class
subclass of: fatty acid anion
IAO_0000115: Any fatty acid anion with a carbon side-chain or isopropyl termination.
id: CHEBI:58955
has related synonym: a branched-chain fatty acid
has related synonym: branched-chain fatty acid anions
has OBO namespace: chebi_ontology
in subset: 3 STAR

branched-chain saturated fatty acid anion
type: Class
subclass of: saturated fatty acid anion
subclass of: branched-chain fatty acid anion
IAO_0000115: Any saturated fatty acid anion with a carbon side-chain or isopropyl termination.
id: CHEBI:58956
has related synonym: branched-chain saturated fatty acid anions
has OBO namespace: chebi_ontology
in subset: 3 STAR

organosulfate oxoanion
type: Class
subclass of: organic anion
subclass of: sulfur oxoanion
charge: -1
monoisotopicmass: 95.952
mass: 96.06300
IAO_0000115: An organic anion of general formula RS(=O)2O(-) where R is an organyl group.
id: CHEBI:58958
formula: O4SR
smiles: [O-]S(=O)(=O)O[*]
has OBO namespace: chebi_ontology
has related synonym: organosulfate oxoanions
in subset: 3 STAR

methyl isocyanate
type: Class
subclass of: isocyanates
charge: 0
monoisotopicmass: 57.021
mass: 57.05130
has db xref: Beilstein:605318
formula: C2H3NO
has db xref: CAS:624-83-9
id: CHEBI:59059
smiles: CN=C=O
has db xref: DrugBank:DB04337
has db xref: Gmelin:100500
inchikey: HAMGRBXTJNITHG-UHFFFAOYSA-N
inchi: InChI=1S/C2H3NO/c1-3-2-4/h1H3
has related synonym: Iso-cyanatomethane
has related synonym: Isocyanate de methyle
has related synonym: MIC
has related synonym: Methyl carbonimide
has related synonym: Methyl isocyanide
has related synonym: Methylcarbylamine
has db xref: PMID:16091349
has db xref: PMID:19494520
has db xref: PMID:24081639
has db xref: PMID:3622432
has db xref: PMID:6821040
has db xref: Reaxys:605318
IAO_0000115: The isocyanate that is methane modified by a single isocyanato substituent.
has OBO namespace: chebi_ontology
has related synonym: isocyanatomethane
has exact synonym: isocyanatomethane
in subset: 3 STAR

(8xi)-cinchonan
type: Class
subclass of: quinolines
has exact synonym: (8xi)-cinchonan
charge: 0
monoisotopicmass: 278.178
mass: 278.39140
formula: C19H22N2
id: CHEBI:59137
IAO_0000115: Cinchonan or its (8S)-epimer.
inchi: InChI=1S/C19H22N2/c1-2-14-13-21-10-8-15(14)11-17(21)12-16-7-9-20-19-6-4-3-5-18(16)19/h2-7,9,14-15,17H,1,8,10-13H2/t14-,15-,17?/m0/s1
inchikey: UFJOYVQIDSNLHC-GIIGEWEBSA-N
has OBO namespace: chebi_ontology
in subset: 3 STAR

(8S)-cinchonan
type: Class
subclass of: (8xi)-cinchonan
has exact synonym: (8S)-cinchonan
has exact synonym: (8alpha)-cinchonan
charge: 0
monoisotopicmass: 278.178
mass: 278.39140
has related synonym: 4-((1S,2S,4S,5R)-5-vinyl-1-azabicyclo[2.2.2]oct-2-ylmethyl)quinoline
has db xref: Beilstein:88419
formula: C19H22N2
id: CHEBI:59138
inchi: InChI=1S/C19H22N2/c1-2-14-13-21-10-8-15(14)11-17(21)12-16-7-9-20-19-6-4-3-5-18(16)19/h2-7,9,14-15,17H,1,8,10-13H2/t14-,15-,17-/m0/s1
IAO_0000115: The (8S)-epimer of cinchonan.
inchikey: UFJOYVQIDSNLHC-ZOBUZTSGSA-N
has OBO namespace: chebi_ontology
in subset: 3 STAR

biomarker
type: Class
subclass of: indicator
IAO_0000115: A substance used as an indicator of a biological state.
id: CHEBI:59163
has related synonym: biological marker
has OBO namespace: chebi_ontology
in subset: 3 STAR

hapten
type: Class
subclass of: biological role
IAO_0000115: Any substance capable of eliciting an immune response only when attached to a large carrier such as a protein. Examples include dinitrophenols; oligosaccharides; peptides; and heavy metals.
id: CHEBI:59174
has db xref: PMID:17875790
has db xref: PMID:17986299
has db xref: PMID:19101624
has db xref: PMID:291959
has db xref: PMID:3782019
has OBO namespace: chebi_ontology
has related synonym: haptens
in subset: 3 STAR

straight-chain fatty acid
type: Class
subclass of: fatty acid
IAO_0000115: Any fatty acid whose skeletal carbon atoms form an unbranched open chain.
id: CHEBI:59202
has OBO namespace: chebi_ontology
has related synonym: straight-chain fatty acids
in subset: 3 STAR

straight-chain fatty acid anion
type: Class
subclass of: fatty acid anion
IAO_0000115: A fatty acid anion formed by deprotonation of the carboxylic acid functional group of a straight-chain fatty acid.
id: CHEBI:59203
has OBO namespace: chebi_ontology
has related synonym: straight-chain FA anion
has related synonym: straight-chain FA anions
has related synonym: straight-chain fatty acid anions
in subset: 3 STAR

cyclic fatty acid
type: Class
subclass of: fatty acid
IAO_0000115: Any fatty acid containing anywhere in its structure a ring of atoms.
id: CHEBI:59238
has db xref: PMID:17113094
has db xref: PMID:9300789
has related synonym: acides gras cycliques
has related synonym: acidos grasos ciclicos
has OBO namespace: chebi_ontology
has related synonym: cyclic fatty acids
has related synonym: zyklische Fettsaeuren
in subset: 3 STAR

EC 3.4.21.* (serine endopeptidase) inhibitor
type: Class
subclass of: EC 3.4.* (hydrolases acting on peptide bond) inhibitor
IAO_0000115: Any EC 3.4.* (hydrolases acting on peptide bond) inhibitor that inhibits the activity of a serine endopeptidase (EC 3.4.21.*).
id: CHEBI:5924
has related synonym: EC 3.4.21.* (serine endopeptidase) inhibitors
has related synonym: EC 3.4.21.* inhibitor
has related synonym: EC 3.4.21.* inhibitors
has OBO namespace: chebi_ontology
has related synonym: inhibitor of serine endopeptidase (EC 3.4.21.*)
has related synonym: inhibitor of serine endopeptidase (EC 3.4.21.*)s
has related synonym: serine endopeptidase inhibitor
has related synonym: serine endopeptidase inhibitors
in subset: 3 STAR

linear tetrapyrrole anion
type: Class
subclass of: organic anion
IAO_0000115: An organic anion arising from deprotonation of a acyclic tetrapyrrole compound.
id: CHEBI:59252
has related synonym: acyclic tetrapyrrole anion
has related synonym: acyclic tetrapyrrole anions
has OBO namespace: chebi_ontology
has related synonym: linear tetrapyrrole anions
in subset: 3 STAR

insulin (human)
type: Class
subclass of: polypeptide
subclass of: heterodetic cyclic peptide
subclass of: peptide hormone
charge: 0
monoisotopicmass: 5789.622
mass: 5793.54400
IAO_0000115: A peptide hormone produced in the pancreas and involved in regulating the metabolism of carbohydrates (particularly glucose) and fats. Commonly thought of as a protein, it consists of two petide chains, one containing 21 amino acid residues and the other containing 30; the chains are joined together by 2 disulfide bonds. Recombinant insulin is identical to human insulin, but is synthesised by inserting the human insulin gene into E. coli, which then produces insulin for human use. It is used in the treatment of type I and type II diabetes.
formula: C256H381N65O77S6
has db xref: CAS:9004-10-8
id: CHEBI:5931
has db xref: DrugBank:DB00030
has related synonym: Insulin
has related synonym: Insulin recombinant
has db xref: KEGG:C00723
has db xref: KEGG:D00085
has db xref: PMID:22249812
has db xref: PMID:22617471
has db xref: PMID:22715632
has db xref: PMID:22843207
has db xref: PMID:8019699
has db xref: Wikipedia:Insulin
inchikey: YAJCHEVQCOHZDC-QMMNLEPNSA-N
has OBO namespace: chebi_ontology
has related synonym: insulin (recombinant)
in subset: 3 STAR

prostaglandin carboxylic acid anion
type: Class
subclass of: fatty acid anion
subclass of: prostanoid anion
IAO_0000115: A prostanoid anion obtained by deprotonation of the carboxy group of any prostaglandin.
id: CHEBI:59326
has OBO namespace: chebi_ontology
has related synonym: prostaglandin carboxylic acid anions
in subset: 3 STAR

medium-chain fatty acid
type: Class
subclass of: fatty acid
charge: 0
monoisotopicmass: 44.998
mass: 45.01740
IAO_0000115: Any fatty acid with a chain length of between C6 and C12.
id: CHEBI:59554
formula: CHO2R
has related synonym: MCFA
has related synonym: MCFAs
smiles: OC([*])=O
has OBO namespace: chebi_ontology
has related synonym: medium-chain fatty acids
in subset: 3 STAR

medium-chain fatty acid anion
type: Class
subclass of: fatty acid anion
charge: -1
monoisotopicmass: 43.990
IAO_0000115: A fatty acid anion resulting from the deprotonation of the carboxylic acid moiety of a medium-chain fatty acid.
id: CHEBI:59558
formula: CO2R
has related synonym: MCFA anion
has related synonym: MCFA anions
smiles: [O-]C([*])=O
has related synonym: a medium chain fatty acid
has OBO namespace: chebi_ontology
has related synonym: medium-chain FA anion
has related synonym: medium-chain FA anions
has related synonym: medium-chain fatty acid anions
in subset: 3 STAR

diamino acid anion
type: Class
subclass of: organic anion
IAO_0000115: An organic anion that is the conjugate base of diamino acid.
id: CHEBI:59561
has OBO namespace: chebi_ontology
has related synonym: diamino acid anions
in subset: 3 STAR

oxo fatty acid
type: Class
subclass of: oxo carboxylic acid
subclass of: fatty acid
IAO_0000115: Any fatty acid containing at least one aldehydic or ketonic group in addition to the carboxylic acid group.
id: CHEBI:59644
has db xref: PMID:6434570
has db xref: PMID:8454196
has db xref: PMID:8638935
has OBO namespace: chebi_ontology
has related synonym: oxo fatty acids
in subset: 3 STAR

phosphoric acids
type: Class
subclass of: phosphorus oxoacid
id: CHEBI:59698
IAO_0000115: Compounds containing one or more phosphoric acid units.
has OBO namespace: chebi_ontology
in subset: 3 STAR

ribonucleoside triphosphate oxoanion
type: Class
subclass of: organophosphate oxoanion
IAO_0000115: An organophosphate anion resulting from deprotonation of at least one of the acidic hydroxy groups from the triphosphate moiety of a nucleoside triphosphate.
id: CHEBI:59724
has OBO namespace: chebi_ontology
has related synonym: ribonucleoside triphosphate anion
has related synonym: ribonucleoside triphosphate anions
has related synonym: ribonucleoside triphosphate oxoanions
in subset: 3 STAR

nucleophilic reagent
type: Class
subclass of: reagent
subclass of: Lewis base
IAO_0000115: A reagent that forms a bond to its reaction partner (the electrophile) by donating both bonding electrons.
id: CHEBI:59740
has OBO namespace: chebi_ontology
has related synonym: nucleophile
has related synonym: nucleophiles
has related synonym: nucleophilic reagents
in subset: 3 STAR

(S)-nicotinium(1+)
type: Class
subclass of: ammonium ion
has exact synonym: (2S)-1-methyl-2-(pyridin-3-yl)pyrrolidinium
has related synonym: (S)-nicotine
has related synonym: (S)-nicotinium cation
charge: +1
monoisotopicmass: 163.124
mass: 163.23900
formula: C10H15N2
id: CHEBI:59806
smiles: C[NH+]1CCC[C@H]1c1cccnc1
has db xref: Gmelin:329042
inchi: InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/p+1/t10-/m0/s1
has db xref: MetaCyc:NICOTINE
inchikey: SNICXCGAKADSCV-JTQLQIEISA-O
IAO_0000115: The conjugate acid of (S)-nicotine arising from selective protonation of the tertiary amino group; major species at pH 7.3.
has OBO namespace: chebi_ontology
in subset: 3 STAR

L-alpha-amino acid anion
type: Class
subclass of: alpha-amino-acid anion
charge: -1
monoisotopicmass: 73.016
mass: 88.08520
formula: C2H3NO2R
id: CHEBI:59814
smiles: C[C@H](N)C([O-])=O
IAO_0000115: Conjugate base of an L-alpha-amino acid arising from deprotonation of the C-1 carboxy group.
has related synonym: L-alpha-amino carboxylate
has OBO namespace: chebi_ontology
in subset: 3 STAR

progestin
type: Class
subclass of: progestogen
IAO_0000115: A synthetic progestogen.
id: CHEBI:59826
has db xref: Wikipedia:Progestin
has OBO namespace: chebi_ontology
has related synonym: progestins
in subset: 3 STAR

hydroxy fatty acid anion
type: Class
subclass of: fatty acid anion
subclass of: hydroxy monocarboxylic acid anion
id: CHEBI:59835
has related synonym: OH-FA anion
has related synonym: OH-FA-anions
has related synonym: OH-fatty acid anion
has related synonym: OH-fatty acid anions
IAO_0000115: The conjugate base of any hydroxy fatty acid, formed by deprotonation of the carboxylic acid moiety.
has OBO namespace: chebi_ontology
has related synonym: hydroxy fatty acid anions
in subset: 3 STAR

oxo fatty acid anion
type: Class
subclass of: fatty acid anion
IAO_0000115: A fatty acid anion carrying one or more oxo substituents
id: CHEBI:59836
has OBO namespace: chebi_ontology
has related synonym: oxo fatty acid anions
has related synonym: oxo-FA anion
has related synonym: oxo-FA anions
in subset: 3 STAR

3-hydroxy fatty acid
type: Class
subclass of: hydroxy fatty acid
subclass of: 3-hydroxy monocarboxylic acid
charge: 0
has related synonym: 3-OH fatty acid
has related synonym: 3-OH fatty acids
has related synonym: 3-hydroxy fatty acids
monoisotopicmass: 89.024
mass: 89.07000
IAO_0000115: Any fatty acid with a hydroxy functional group in the beta- or 3-position. beta-Hydroxy fatty acids accumulate during cardiac hypoxia, and can also be used as chemical markers of bacterial endotoxins.
formula: C3H5O3R
id: CHEBI:59845
smiles: OC([*])CC(O)=O
has db xref: PMID:1226425
has db xref: PMID:17392575
has db xref: PMID:3094448
has db xref: PMID:7406063
has related synonym: beta-OH fatty acid
has related synonym: beta-OH fatty acids
has related synonym: beta-hydroxy fatty acid
has related synonym: beta-hydroxy fatty acids
has OBO namespace: chebi_ontology
in subset: 3 STAR

L-alpha-amino acid zwitterion
type: Class
subclass of: alpha-amino acid zwitterion
charge: 0
monoisotopicmass: 74.024
formula: C2H4NO2R
id: CHEBI:59869
has related synonym: L-alpha-amino acid zwitterions
IAO_0000115: Zwitterionic form of an L-alpha-amino acid having an anionic carboxy group and a protonated amino group.
smiles: [NH3+][C@@H]([*])C([O-])=O
has related synonym: an L-alpha-amino acid
has OBO namespace: chebi_ontology
in subset: 3 STAR

D-alpha-amino acid zwitterion
type: Class
subclass of: amino acid zwitterion
charge: 0
monoisotopicmass: 74.024
formula: C2H4NO2R
id: CHEBI:59871
has related synonym: D-alpha-amino acid zwitterions
IAO_0000115: Zwitterionic form of a D-alpha-amino acid having an anionic carboxy group and a protonated amino group.
smiles: [NH3+][C@H]([*])C([O-])=O
has related synonym: a D-amino acid
has OBO namespace: chebi_ontology
in subset: 3 STAR

N-acyl-L-alpha-amino acid anion
type: Class
subclass of: carboxylic acid anion
charge: -1
monoisotopicmass: 100.003
mass: 100.05290
IAO_0000115: A carboxylic acid anion that is the conjugate base of an N-acyl-L-alpha-amino acid arising from deprotonation of the C-1 carboxy group.
formula: C3H2NO3R2
id: CHEBI:59874
has related synonym: N-acyl-L-alpha-amino acid(1-)
smiles: [O-]C(=O)[C@H]([*])NC([*])=O
has related synonym: an N-acyl-L-amino acid
has OBO namespace: chebi_ontology
in subset: 3 STAR

N-acyl-D-alpha-amino acid anion
type: Class
subclass of: carboxylic acid anion
charge: -1
monoisotopicmass: 100.003
mass: 100.05290
formula: C3H2NO3R2
id: CHEBI:59876
has related synonym: N-acyl-D-alpha-amino acid(1-)
IAO_0000115: The conjugate base of an N-acyl-D-alpha-amino acid arising from deprotonation of the C-1 carboxy group.
smiles: [O-]C(=O)[C@@H]([*])NC([*])=O
has related synonym: a N-acyl-D-amino acid
has OBO namespace: chebi_ontology
in subset: 3 STAR

gamma-aminobutyric acid zwitterion
type: Class
subclass of: amino acid zwitterion
charge: 0
monoisotopicmass: 103.063
mass: 103.11980
has related synonym: 4-aminobutanoate
has related synonym: 4-ammoniobutanoate
has exact synonym: 4-azaniumylbutanoate
inchikey: BTCSSZJGUNDROE-UHFFFAOYSA-N
formula: C4H9NO2
id: CHEBI:59888
has db xref: Gmelin:1041559
inchi: InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)
IAO_0000115: Zwitterionic form of gamma-aminobutyric acid having an anionic carboxy group and a protonated amino group.
smiles: [NH3+]CCCC([O-])=O
has OBO namespace: chebi_ontology
in subset: 3 STAR

dopaminium(1+)
type: Class
subclass of: ammonium ion
charge: +1
monoisotopicmass: 154.087
mass: 154.18640
has related synonym: 2-(3,4-dihydroxyphenyl)ethan-1-aminium
has exact synonym: 2-(3,4-dihydroxyphenyl)ethanaminium
IAO_0000115: An ammonium ion that is the conjugate acid of dopamine; major species at pH 7.3.
formula: C8H12NO2
id: CHEBI:59905
has db xref: Gmelin:328863
inchi: InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2/p+1
inchikey: VYFYYTLLBUKUHU-UHFFFAOYSA-O
smiles: [NH3+]CCc1ccc(O)c(O)c1
has OBO namespace: chebi_ontology
has related synonym: dopamine
has related synonym: dopaminium cation
in subset: 3 STAR

chemical substance
type: Class
subclass of: chemical entity
IAO_0000115: A chemical substance is a portion of matter of constant composition, composed of molecular entities of the same type or of different types.
id: CHEBI:59999
has related synonym: Chemische Substanz
has OBO namespace: chebi_ontology
in subset: 3 STAR

mixture
type: Class
subclass of: chemical substance
IAO_0000115: A mixture is a chemical substance composed of multiple molecules, at least two of which are of a different kind.
id: CHEBI:60004
has related synonym: Mischung
has OBO namespace: chebi_ontology
in subset: 3 STAR

polymer
type: Class
subclass of: mixture
subclass of: Restriction
  on property: has part
  some values from: macromolecule
IAO_0000115: A polymer is a mixture, which is composed of macromolecules of different kinds and which may be differentiated by composition, length, degree of branching etc..
id: CHEBI:60027
has related synonym: Kunststoff
has exact synonym: Polymer
has db xref: Wikipedia:Polymer
has OBO namespace: chebi_ontology
in subset: 3 STAR

L-proline zwitterion
type: Class
subclass of: amino acid zwitterion
has exact synonym: (2S)-pyrrolidinium-2-carboxylate
charge: 0
monoisotopicmass: 115.063
mass: 115.13050
formula: C5H9NO2
has alternative id: CHEBI:58054
id: CHEBI:60039
inchi: InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1
has related synonym: L-proline
has db xref: MetaCyc:PRO
inchikey: ONIBWKKTOPOVIA-BYPYZUCNSA-N
IAO_0000115: The zwitterion formed from L-proline by proton transfer from the carboxy group to the ring nitrogen. It is the predominant species at physiological pH.
smiles: [O-]C(=O)[C@@H]1CCC[NH2+]1
has OBO namespace: chebi_ontology
in subset: 3 STAR

dermatan anion
type: Class
subclass of: carbohydrate acid derivative anion
IAO_0000115: A carbohydrate acid derivative anion obtained from dermatan by deprotonation of the carboxylic acid groups of the repeating units; the major species at pH 7.3.
has alternative id: CHEBI:58701
id: CHEBI:60059
formula: H2O(C14H20NO11)n
has OBO namespace: chebi_ontology
has related synonym: dermatan
has related synonym: dermatan polyanion
in subset: 3 STAR

N-acylneuraminate
type: Class
subclass of: carboxylic acid anion
subclass of: sialic acid anion
subclass of: carbohydrate acid derivative anion
charge: -1
monoisotopicmass: 293.075
mass: 293.22740
has exact synonym: 5-alkanamido-3,5-dideoxy-D-glycero-D-galacto-non-2-ulopyranosonate
IAO_0000115: A sialic acid anion arising from deprotonation of the carboxy group of an N-acylneuraminic acid; major species at pH 7.3.
formula: C10H15NO9R
id: CHEBI:60073
has related synonym: N-acylneuraminate cation
has related synonym: an N-acylneuraminate
has OBO namespace: chebi_ontology
in subset: 3 STAR

isoflurane
type: Class
subclass of: organofluorine compound
charge: 0
has related synonym: 1-chloro-2,2,2-trifluoroethyl difluoromethyl ether
monoisotopicmass: 183.971
mass: 184.49210
has exact synonym: 2-chloro-2-difluoromethoxy-1,1,1-trifluoroethane
has related synonym: Aerrane
formula: C3H2ClF5O
has db xref: CAS:26675-46-7
id: CHEBI:6015
has db xref: DrugBank:DB00753
has db xref: Drug_Central:1493
has related synonym: Ethane
smiles: FC(F)OC(Cl)C(F)(F)F
has related synonym: Forane
has related synonym: Forene
inchi: InChI=1S/C3H2ClF5O/c4-1(3(7,8)9)10-2(5)6/h1-2H
has exact synonym: Isoflurane
has db xref: KEGG:C07518
has db xref: KEGG:D00545
inchikey: PIWKPBJCKXDKJR-UHFFFAOYSA-N
has db xref: VSDB:1804
has db xref: Wikipedia:Isoflurane
has OBO namespace: chebi_ontology
has related synonym: isoflurane
has related synonym: isoflurano
has related synonym: isofluranum
in subset: 3 STAR

ionic polymer
type: Class
subclass of: polymer
subclass of: Restriction
  on property: has part
  some values from: ionic macromolecule
IAO_0000115: An ionic polymer is a polymer, composed of ionic macromolecules.
id: CHEBI:60164
has OBO namespace: chebi_ontology
has related synonym: polyionic polymer
in subset: 3 STAR

divalent metal cation
type: Class
subclass of: metal cation
subclass of: divalent inorganic cation
IAO_0000115: A metal cation with a valence of two.
id: CHEBI:60240
has related synonym: a divalent metal cation
has OBO namespace: chebi_ontology
in subset: 3 STAR

monovalent inorganic cation
type: Class
subclass of: inorganic cation
IAO_0000115: An atom or small molecule with a positive charge that does not contain carbon in covalent linkage, with a valency of one.
id: CHEBI:60242
has related synonym: a monovalent cation
has OBO namespace: chebi_ontology
in subset: 3 STAR

EC 3.4.* (hydrolases acting on peptide bond) inhibitor
type: Class
subclass of: EC 3.* (hydrolase) inhibitor
IAO_0000115: A hydrolase inhibitor that interferes with the action of any hydrolase acting on peptide bonds (peptidase), EC 3.4.*.*).
id: CHEBI:60258
has alternative id: CHEBI:76763
has related synonym: EC 3.4.* (hydrolase acting on peptide bond) inhibitor
has related synonym: EC 3.4.* (hydrolase acting on peptide bonds) inhibitors
has related synonym: EC 3.4.* (hydrolases acting on peptide bond) inhibitors
has related synonym: EC 3.4.* (peptidase) inhibitor
has related synonym: EC 3.4.* (peptidase) inhibitors
has related synonym: EC 3.4.* inhibitor
has related synonym: EC 3.4.* inhibitors
has OBO namespace: chebi_ontology
has related synonym: inhibitor of hydrolases acting on peptide bond (EC 3.4.*)
has related synonym: inhibitors of hydrolases acting on peptide bond (EC 3.4.*)
has related synonym: peptidase inhibitors
has related synonym: protease inhibitor
has related synonym: protease inhibitors
in subset: 3 STAR

3,3',5-triiodo-L-thyroninate
type: Class
subclass of: alpha-amino-acid anion
subclass of: monocarboxylic acid anion
subclass of: iodothyroninate
has exact synonym: (2S)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoate
has related synonym: (2S)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propionate
charge: -1
has related synonym: 3,3',5-triiodo-L-thyronine anion
has related synonym: 3,3',5-triiodo-L-thyronine(1-)
monoisotopicmass: 649.782
mass: 649.96560
inchikey: AUYYCJSJGJYCDS-LBPRGKRZSA-M
formula: C15H11I3NO4
id: CHEBI:60308
inchi: InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/p-1/t12-/m0/s1
IAO_0000115: The anion resulting from the removal of the proton from the carboxylic acid group of 3,3',5-triiodo-L-thyronine.
has OBO namespace: chebi_ontology
has related synonym: liothyronine anion
has related synonym: liothyronine(1-)
in subset: 3 STAR

thyroid hormone
type: Class
subclass of: hormone
IAO_0000115: Any hormone produced by the thyroid gland
id: CHEBI:60311
has OBO namespace: chebi_ontology
has related synonym: thyroid hormones
in subset: 3 STAR

2-methyl-2-(methylsulfanyl)propanal oxime
type: Class
subclass of: aliphatic aldoxime
subclass of: methyl sulfide
charge: 0
monoisotopicmass: 133.056
mass: 133.21200
has related synonym: 2-(methylthio)-2-methylpropionaldehyde oxime
has related synonym: 2-(methylthio)isobutyraldehyde oxime
has related synonym: 2-methyl-2-(methylsulfanyl)propanaldoxime
has related synonym: 2-methyl-2-(methylthio)propanal oxime
has related synonym: 2-methyl-2-(methylthio)propionaldehyde oxime
has related synonym: 2-methyl-2-(methylthio)propionaldoxime
has related synonym: ADO
has db xref: Beilstein:2038299
formula: C5H11NOS
has db xref: CAS:1646-75-9
id: CHEBI:60330
inchi: InChI=1S/C5H11NOS/c1-5(2,8-3)4-6-7/h4,7H,1-3H3
has exact synonym: N-hydroxy-2-methyl-2-(methylsulfanyl)propan-1-imine
has db xref: Patent:US3217037
has db xref: Reaxys:2038299
has related synonym: Temik oxime
IAO_0000115: The oxime resulting from the formal condensation of 2-methyl-2-(methylsulfanyl)propanal with hydroxylamine. Addition of the oxime group to methyl isocyanate forms the final step in the synthesis of the systemic insecticide aldicarb.
inchikey: ZFGMCJAXIZTVJA-UHFFFAOYSA-N
smiles: [H]C(=NO)C(C)(C)SC
has related synonym: aldicarb oxime
has OBO namespace: chebi_ontology
in subset: 3 STAR

peptide anion
type: Class
subclass of: organic anion
IAO_0000115: An anion formed by deprotonation of at least one peptide carboxy group.
id: CHEBI:60334
has OBO namespace: chebi_ontology
has related synonym: peptide anions
in subset: 3 STAR

peptide zwitterion
type: Class
subclass of: zwitterion
charge: 0
formula: C2H4NO2R(C2H2NOR)n
id: CHEBI:60466
IAO_0000115: Zwitterionic form of any peptide where the amino terminus is positively charged and the carboxy terminus is negatively charged.
has OBO namespace: chebi_ontology
has related synonym: peptide zwitterions
in subset: 3 STAR

molybdenum cofactor(2-)
type: Class
subclass of: organic anionic group
charge: -2
mass: 552.33000
monoisotopicmass: 553.856
formula: C10H11MoN5O8PS3
id: CHEBI:60525
has related synonym: MoCo
IAO_0000115: Molybdenum cofactor MoCo protonated to pH 7.3.
has db xref: PDB:3HBG
has db xref: PDB:3HBP
has db xref: PDB:3HBQ
has db xref: PDBeChem:MSS
has db xref: PMID:20356030
has OBO namespace: chebi_ontology
in subset: 3 STAR

NMDA receptor antagonist
type: Class
subclass of: excitatory amino acid antagonist
IAO_0000115: Any substance that inhibits the action of N-methyl-D-aspartate (NMDA) receptors. They tend to induce a state known as dissociative anesthesia, marked by catalepsy, amnesia, and analgesia, while side effects can include hallucinations, nightmares, and confusion. Due to their psychotomimetic effects, many NMDA receptor antagonists are used as recreational drugs.
id: CHEBI:60643
has alternative id: CHEBI:60797
has related synonym: N-methyl-D-aspartate receptor antagonist
has related synonym: N-methyl-D-aspartate receptor antagonists
has related synonym: NMDA receptor antagonists
has related synonym: NMDAR antagonist
has related synonym: NMDAR antagonists
has OBO namespace: chebi_ontology
in subset: 3 STAR

prostaglandin E2(1-)
type: Class
subclass of: prostaglandin carboxylic acid anion
has exact synonym: (5Z,13E,15S)-11alpha,15-dihydroxy-9-oxoprosta-5,13-dien-1-oate
charge: -1
monoisotopicmass: 351.217
mass: 351.45710
has db xref: Beilstein:8364130
formula: C20H31O5
id: CHEBI:606564
inchi: InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/p-1/b7-4-,13-12+/t15-,16+,17+,19+/m0/s1
IAO_0000115: The conjugate base of prostaglandin E2; major species at pH 7.3.
inchikey: XEYBRNLFEZDVAW-ARSRFYASSA-M
has OBO namespace: chebi_ontology
has related synonym: prostaglandin E2
has related synonym: prostaglandin E2 anion
in subset: 3 STAR

N-benzoylglycinate
type: Class
subclass of: hippurate
has exact synonym: (benzoylamino)acetate
charge: -1
monoisotopicmass: 178.050
mass: 178.16470
has related synonym: 2-benzamidoacetate
IAO_0000115: An alpha-amino-acid anion that is the conjugate base of N-benzoylglycine; major species at pH 7.3.
has db xref: Beilstein:3610359
formula: C9H8NO3
has alternative id: CHEBI:24594
id: CHEBI:606565
has db xref: Gmelin:329632
inchi: InChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12)/p-1
has db xref: MetaCyc:CPD-425
has related synonym: N-benzoylglycinate anion
has related synonym: N-benzoylglycinate(1-)
has related synonym: N-benzoylglycine
has db xref: PMID:22153801
inchikey: QIAFMBKCNZACKA-UHFFFAOYSA-M
has db xref: Reaxys:3610359
smiles: [O-]C(=O)CNC(=O)c1ccccc1
has OBO namespace: chebi_ontology
has related synonym: hippurate
in subset: 3 STAR

excitatory amino acid antagonist
type: Class
subclass of: antagonist
IAO_0000115: Any substance which inhibits the action of receptors for excitatory amino acids.
id: CHEBI:60798
has related synonym: EAA receptor antagonist
has related synonym: EAA receptor antagonists
has OBO namespace: chebi_ontology
has related synonym: excitatory amino acid antagonists
has related synonym: excitatory amino acid receptor antagonist
has related synonym: excitatory amino acid receptor antagonists
in subset: 3 STAR

adjuvant
type: Class
subclass of: pharmaceutical
IAO_0000115: Any pharmacological or immunological agent that modifies the effect of other agents such as drugs or vaccines while having few if any direct effects when given by itself.
id: CHEBI:60809
has related synonym: adjuvants
has OBO namespace: chebi_ontology
in subset: 3 STAR

tubulin modulator
type: Class
subclass of: pharmacological role
IAO_0000115: Any substance that interacts with tubulin to inhibit or promote polymerisation of microtubules.
id: CHEBI:60832
has OBO namespace: chebi_ontology
has related synonym: tubulin modulators
in subset: 3 STAR

D-alpha-amino acid anion
type: Class
subclass of: alpha-amino-acid anion
charge: -1
monoisotopicmass: 73.016
mass: 88.08520
IAO_0000115: Any alpha-amino acid anion in which the parent amino acid has D-configuration.
formula: C2H3NO2R
id: CHEBI:60895
smiles: C[C@@H](N)C([O-])=O
has related synonym: D-alpha-amino acid anions
has related synonym: D-alpha-amino carboxylate
has OBO namespace: chebi_ontology
in subset: 3 STAR

racemate
type: Class
subclass of: mixture
IAO_0000115: A racemate is an equimolar mixture of a pair of enantiomers.
id: CHEBI:60911
has OBO namespace: chebi_ontology
has related synonym: melange racemique
has related synonym: racemates
has related synonym: racemic mixture
in subset: 3 STAR

keratan sulfate
type: Class
subclass of: sulfated glycosaminoglycan
subclass of: mucopolysaccharide
IAO_0000115: A sulfated glycosaminoglycan, a linear polymer that consists of the repeating disaccharide [3)-beta-Gal-(1->4)-beta-GlcNAc-(1->] and containing sulfo groups located at random positions.
id: CHEBI:60924
has OBO namespace: chebi_ontology
has related synonym: keratan sulfates
has related synonym: keratosulfate
in subset: 3 STAR

amino monosaccharide
type: Class
subclass of: amino sugar
IAO_0000115: Any amino sugar that is a monosaccharide in which one alcoholic hydroxy group is replaced by an amino group.
id: CHEBI:60926
has related synonym: amino monosaccharides
has OBO namespace: chebi_ontology
in subset: 3 STAR

EC 3.5.1.98 (histone deacetylase) inhibitor
type: Class
subclass of: EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor
IAO_0000115: An EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor that interferes with the function of histone deacetylase (EC 3.5.1.98).
id: CHEBI:61115
has related synonym: EC 3.5.1.98 (histone deacetylase) inhibitors
has related synonym: EC 3.5.1.98 inhibitor
has related synonym: EC 3.5.1.98 inhibitors
has related synonym: HDAC inhibitor
has related synonym: HDAC inhibitors
has related synonym: HDACi
has related synonym: HDACis
has related synonym: HDI
has related synonym: HDIs
has db xref: Wikipedia:Histone_deacetylase_inhibitor
has OBO namespace: chebi_ontology
has related synonym: histone amidohydrolase inhibitor
has related synonym: histone amidohydrolase inhibitors
has related synonym: histone deacetylase (EC 3.5.1.98) inhibitor
has related synonym: histone deacetylase (EC 3.5.1.98) inhibitors
has related synonym: histone deacetylase inhibitor
has related synonym: histone deacetylase inhibitors
in subset: 3 STAR

nucleobase-containing molecular entity
type: Class
subclass of: heteroarene
subclass of: nitrogen molecular entity
IAO_0000115: Any compound that has a nucleobase as a part.
id: CHEBI:61120
has OBO namespace: chebi_ontology
has related synonym: nucleobase-containing compound
has related synonym: nucleobase-containing compounds
has related synonym: nucleobase-containing molecular entities
in subset: 3 STAR

adenyl nucleotide
type: Class
subclass of: purine nucleotide
IAO_0000115: A nucleotide having adenine as the base.
id: CHEBI:61293
has related synonym: adenine nucleotide
has OBO namespace: chebi_ontology
in subset: 3 STAR

adenyl ribonucleotide
type: Class
subclass of: purine ribonucleotide
subclass of: adenyl nucleotide
IAO_0000115: A purine riboncleotide where adenine is the purine.
id: CHEBI:61296
has related synonym: adenine ribonucleotide
has OBO namespace: chebi_ontology
in subset: 3 STAR

C21-steroid
type: Class
subclass of: steroid
charge: 0
monoisotopicmass: 288.282
mass: 288.511
IAO_0000115: A steroid that has a structure based on a 21-carbon (pregnane) skeleton. Note that individual examples may have ring substituents at other positions and/or contain double bonds, aromatic A-rings, expanded/contracted rings etc., so the formula and mass may vary from that given for the generic structure.
smiles: C1CCCC2C1(C3C(CC2)C4C(CC3)(C(CC4)CC)C)C
formula: C21H36
id: CHEBI:61313
inchi: InChI=1S/C21H36/c1-4-15-9-11-18-17-10-8-16-7-5-6-13-20(16,2)19(17)12-14-21(15,18)3/h15-19H,4-14H2,1-3H3
inchikey: JWMFYGXQPXQEEM-UHFFFAOYSA-N
has related synonym: a C21-steroid
has OBO namespace: chebi_ontology
in subset: 3 STAR

C4-dicarboxylate
type: Class
subclass of: dicarboxylic acid dianion
IAO_0000115: A dicarboxylate that contains four carbon atoms.
id: CHEBI:61336
has OBO namespace: chebi_ontology
in subset: 3 STAR

3-hydroxy carboxylic acid
type: Class
subclass of: hydroxy carboxylic acid
has related synonym: 3-hydroxy carboxylic acids
has related synonym: 3-hydroxycarboxylic acid
has related synonym: 3-hydroxycarboxylic acids
IAO_0000115: Any hydroxy carboxylic acid which contains a hydroxy group located beta- to the carboxylic acid group.
id: CHEBI:61355
has related synonym: beta-hydroxy carboxylic acid
has related synonym: beta-hydroxy carboxylic acids
has related synonym: beta-hydroxycarboxylic acid
has related synonym: beta-hydroxycarboxylic acids
has OBO namespace: chebi_ontology
in subset: 3 STAR

sulfolipid
type: Class
subclass of: lipid
subclass of: organic sulfate
IAO_0000115: A compound containing a sulfonic acid residue joined by a carbon-sulfur bond to a lipid.
id: CHEBI:61384
has OBO namespace: chebi_ontology
has related synonym: sulfolipids
in subset: 3 STAR

dihydroxyphenylacetic acid
type: Class
subclass of: dihydroxy monocarboxylic acid
IAO_0000115: A dihydroxy monocarboxylic acid consisting of phenylacetic acid having two phenolic hydroxy substituents.
has alternative id: CHEBI:23787
id: CHEBI:61409
has OBO namespace: chebi_ontology
has related synonym: dihydroxyphenylacetic acids
in subset: 3 STAR

polyanionic polymer
type: Class
subclass of: ionic polymer
subclass of: Restriction
  on property: has part
  some values from: polyanionic macromolecule
IAO_0000115: A polymer, composed of polyanion macromolecules.
id: CHEBI:61469
has OBO namespace: chebi_ontology
has related synonym: polyanion
has related synonym: polyanions
in subset: 3 STAR

nucleoside triphosphate(4-)
type: Class
subclass of: ribonucleoside triphosphate oxoanion
charge: -4
monoisotopicmass: 368.918
mass: 384.06500
IAO_0000115: A ribonucleoside triphosphate oxoanion arising from global deprotonation of the triphosphate group of any nucleoside triphosphate.
formula: C5H8O13P3R
id: CHEBI:61557
smiles: C[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)[C@@H](O)[C@H]1O
has related synonym: NTP tetraanion
has related synonym: NTP(4-)
has related synonym: a ribonucleoside 5'-triphosphate
has OBO namespace: chebi_ontology
has related synonym: nucleoside 5'-triphosphate tetraanion
has exact synonym: nucleoside triphosphate(4-)
in subset: 3 STAR

pyridoisoquinoline
type: Class
subclass of: organic heterotricyclic compound
IAO_0000115: An organic heterotricyclic compound with a skeleton derived from a pyridine ring fused to an isoquinoline.
id: CHEBI:61692
has OBO namespace: chebi_ontology
has related synonym: pyridoisoquinolines
in subset: 3 STAR

fatty acid derivative
type: Class
subclass of: organic molecular entity
IAO_0000115: Any organic molecular entity derived from a fatty acid.
id: CHEBI:61697
has related synonym: FA derivative
has related synonym: FA derivatives
has OBO namespace: chebi_ontology
has related synonym: fatty acid derivatives
in subset: 3 STAR

microtubule-destabilising agent
type: Class
subclass of: tubulin modulator
subclass of: antimitotic
IAO_0000115: Any substance that interacts with tubulin to inhibit polymerisation of microtubules.
id: CHEBI:61951
has db xref: PMID:17099073
has OBO namespace: chebi_ontology
has related synonym: microtubule destabilising agent
has related synonym: microtubule destabilising agents
has related synonym: microtubule destabilising role
has related synonym: microtubule destabilizing role
has related synonym: microtubule-destabilising agents
has related synonym: microtubule-destabilizing agent
has related synonym: microtubule-destabilizing agents
in subset: 3 STAR

polar amino acid zwitterion
type: Class
subclass of: polar amino acid
subclass of: amino acid zwitterion
subclass of: organic molecular entity
charge: 0
monoisotopicmass: 74.024
mass: 74.05870
formula: C2H4NO2R
id: CHEBI:62031
has db xref: MetaCyc:Polar-amino-acids
IAO_0000115: Zwitterionic form of a polar amino acid having an anionic carboxy group and a protonated amino group.
smiles: [NH3+]C([*])C([O-])=O
has related synonym: a polar amino acid
has OBO namespace: chebi_ontology
in subset: 2 STAR

1,1-diunsubstituted alkanesulfonate
type: Class
subclass of: alkanesulfonate oxoanion
subclass of: organosulfonate oxoanion
charge: -1
has related synonym: 1,1-di-unsubstituted alkanesulfonate
has related synonym: 1,1-di-unsubstituted alkanesulfonates
has related synonym: 1,1-diunsubstituted alkanesulfonates
monoisotopicmass: 93.972
mass: 94.09000
IAO_0000115: An alkanesulfonate in which the carbon at position 1 is attached to at least two hydrogens.
formula: CH2O3SR
id: CHEBI:62081
has db xref: KEGG:C15521
has db xref: MetaCyc:Alkanesulfonates
smiles: [H]C([H])([*])S([O-])(=O)=O
has OBO namespace: chebi_ontology
in subset: 3 STAR

signalling molecule
type: Class
subclass of: molecular messenger
IAO_0000115: A molecular messenger in which the molecule is specifically involved in transmitting information between cells. Such molecules are released from the cell sending the signal, cross over the gap between cells by diffusion, and interact with specific receptors in another cell, triggering a response in that cell by activating a series of enzyme controlled reactions which lead to changes inside the cell.
id: CHEBI:62488
has OBO namespace: chebi_ontology
has related synonym: signal molecule
has related synonym: signal molecules
has related synonym: signaling molecule
has related synonym: signaling molecules
has related synonym: signalling molecules
in subset: 3 STAR

sphingomyelin d18:1(1+)
type: Class
subclass of: quaternary ammonium ion
charge: +1
monoisotopicmass: 492.333
IAO_0000115: A quaternary ammonium ion that is the conjugate acid of sphingomyelin d18:1, obtined by protonation of the anionic phosphate function.
formula: C24H49N2O6PR
has alternative id: CHEBI:58216
id: CHEBI:62490
has db xref: KEGG:C00550
has db xref: LIPID_MAPS_instance:LMSP03010000
has db xref: MetaCyc:Sphingomyelins
has related synonym: N-acyl-sphing-4-enine-1-phosphocholine
has related synonym: N-acyl-sphingosylphosphocholine
has related synonym: N-acyl-sphingosylphosphocholines
has related synonym: N-acyl-sphingosylphosphorylcholine
has related synonym: N-acyl-sphingosylphosphorylcholines
has related synonym: N-acylsphingosylphosphocholine
has db xref: PMID:10951276
has db xref: PMID:10970788
has db xref: PMID:12649340
has db xref: PMID:16341241
has db xref: PMID:19443184
has db xref: PMID:2187537
has db xref: PMID:8086039
has related synonym: Sphingomyelin
has OBO namespace: chebi_ontology
has related synonym: sphingomyelins
in subset: 3 STAR

methyl-branched fatty acid
type: Class
subclass of: branched-chain fatty acid
IAO_0000115: Any branched-chain fatty acid containing methyl branches only.
id: CHEBI:62499
has db xref: PMID:17030019
has db xref: PMID:19747846
has db xref: PMID:19933331
has OBO namespace: chebi_ontology
has related synonym: methyl-branched fatty acids
in subset: 3 STAR

folate(2-)
type: Class
subclass of: dicarboxylic acid dianion
subclass of: folates
charge: -2
monoisotopicmass: 439.124
mass: 439.38160
formula: C19H17N7O6
id: CHEBI:62501
inchi: InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/p-2/t12-/m0/s1
has db xref: MetaCyc:CPD-12826
has exact synonym: N-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoyl)-L-glutamate(2-)
inchikey: OVBPIULPVIDEAO-LBPRGKRZSA-L
IAO_0000115: The dicarboxylic acid dianion formed from folic acid by loss of a proton from each of the two carboxy groups in the glutamic acid moiety.
has OBO namespace: chebi_ontology
has related synonym: folate
in subset: 3 STAR

anionic phospholipid
type: Class
subclass of: organophosphate oxoanion
IAO_0000115: Any organophosphate oxoanion that is a negatively charged phospholipid, e.g. phosphatidylserine(1-), phosphatidate(2-), phosphatidylglycerol(1-).
id: CHEBI:62643
has related synonym: anionic phospholipids
has OBO namespace: chebi_ontology
has related synonym: phospholipid anion
has related synonym: phospholipid anions
in subset: 3 STAR

tyrosine derivative
type: Class
subclass of: phenylalanine derivative
subclass of: amino acid derivative
IAO_0000115: An amino acid derivative resulting from reaction of tyrosine at the amino group or the carboxy group, any substitution of phenyl hydrogens, or from the replacement of any hydrogen of tyrosine by a heteroatom. The definition normally excludes peptides containing tyrosine residues.
id: CHEBI:62761
has OBO namespace: chebi_ontology
has related synonym: tyrosine derivatives
in subset: 3 STAR

reactive nitrogen species
type: Class
subclass of: nitrogen molecular entity
IAO_0000115: A family of nitrogen molecular entities which are highly reactive and derived from nitric oxide (.NO) and superoxide (O2.(-)) produced via the enzymatic activity of inducible nitric oxide synthase 2 (NOS2) and NADPH oxidase respectively.
id: CHEBI:62764
has db xref: PMID:12076975
has db xref: PMID:17667957
has db xref: PMID:9741578
has related synonym: RNI
has related synonym: RNS
has db xref: Wikipedia:Reactive_nitrogen_species
has OBO namespace: chebi_ontology
in subset: 3 STAR

fuel additive
type: Class
subclass of: chemical role
IAO_0000115: Any additive that enhances the efficiency of fuel.
id: CHEBI:62803
has OBO namespace: chebi_ontology
has related synonym: fuel additives
has related synonym: fuel enhancer
in subset: 3 STAR

hepatoprotective agent
type: Class
subclass of: protective agent
IAO_0000115: Any compound that is able to prevent damage to the liver.
id: CHEBI:62868
has related synonym: antihepatotoxic agent
has OBO namespace: chebi_ontology
has related synonym: hepatoprotective agents
in subset: 3 STAR

icosanoid anion
type: Class
subclass of: carboxylic acid anion
id: CHEBI:62937
IAO_0000115: The carboxylic acid anion that is the conjugate base of an icosanoid, formed when the carboxy group is deprotonated.
has OBO namespace: chebi_ontology
has related synonym: eicosanoid anion
has related synonym: eicosanoid anions
has exact synonym: icosanoid anion
has related synonym: icosanoid anions
in subset: 3 STAR

glycosylceramide
type: Class
subclass of: ceramide
subclass of: glycosphingolipid
IAO_0000115: A ceramide compound formed by the replacement of the glycosidic hydroxy group of a cyclic form of a monosaccharide (or derivative) by a ceramide group.
id: CHEBI:62941
has OBO namespace: chebi_ontology
has related synonym: glycosylceramides
in subset: 3 STAR

leukotriene anion
type: Class
subclass of: icosanoid anion
IAO_0000115: A eicosanoid anion that is the conjugate base of a leukotriene.
id: CHEBI:62942
has OBO namespace: chebi_ontology
has related synonym: leukotriene anions
in subset: 3 STAR

prostanoid anion
type: Class
subclass of: unsaturated fatty acid anion
subclass of: icosanoid anion
IAO_0000115: An icosanoid anion that is the conjugate base of a prostanoid.
id: CHEBI:62943
has OBO namespace: chebi_ontology
has related synonym: prostanoid anions
in subset: 3 STAR

sialic acid anion
type: Class
subclass of: carboxylic acid anion
subclass of: carbohydrate acid derivative anion
IAO_0000115: A carboxylic acid anion that is the conjugate base of a sialic acid, formed by deprotonation of the carboxy group.
id: CHEBI:62944
has OBO namespace: chebi_ontology
has related synonym: sialic acid anions
in subset: 3 STAR

thromboxane anion
type: Class
subclass of: prostanoid anion
IAO_0000115: A prostanoid anion that is the conjugate base of a thromboxane.
id: CHEBI:62945
has OBO namespace: chebi_ontology
has related synonym: thromboxane anions
in subset: 3 STAR

4-hydroxyprolinate
type: Class
subclass of: alpha-amino-acid anion
charge: -1
monoisotopicmass: 130.050
mass: 130.12190
has related synonym: 4-hydroxyproline anion
has exact synonym: 4-hydroxypyrrolidine-2-carboxylate
formula: C5H8NO3
id: CHEBI:62978
inchi: InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/p-1
smiles: OC1CNC(C1)C([O-])=O
inchikey: PMMYEEVYMWASQN-UHFFFAOYSA-M
IAO_0000115: The alpha-amino-acid anion formed by loss of a proton from the carboxy group of 4-hydroxyproline.
has OBO namespace: chebi_ontology
has related synonym: hydroxyprolinate
has related synonym: hydroxyproline anion
in subset: 3 STAR

4-hydroxy-L-prolinate
type: Class
subclass of: L-alpha-amino acid anion
subclass of: 4-hydroxyprolinate
has exact synonym: (2S)-4-hydroxypyrrolidine-2-carboxylate
charge: -1
monoisotopicmass: 130.050
mass: 130.12190
has related synonym: 4-hydroxy-L-proline anion
formula: C5H8NO3
id: CHEBI:62981
inchi: InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/p-1/t3?,4-/m0/s1
smiles: OC1CN[C@@H](C1)C([O-])=O
inchikey: PMMYEEVYMWASQN-BKLSDQPFSA-M
has db xref: Reaxys:4742919
IAO_0000115: The L-alpha-amino acid anion that is the conjugate base of 4-hydroxy-L-proline, formed by proton loss from the carboxy group. It is the major microspecies present at pH > 10.6.
has OBO namespace: chebi_ontology
in subset: 3 STAR

emulsifier
type: Class
subclass of: chemical role
id: CHEBI:63046
IAO_0000115: The chemical role played by a substance that stabilizes an emulsion by increasing its kinetic stability.
has OBO namespace: chebi_ontology
has related synonym: emulgent
has related synonym: emulgents
has related synonym: emulsifiers
in subset: 3 STAR

beta-alaninate
type: Class
subclass of: beta-amino-acid anion
charge: -1
has exact synonym: 3-aminopropanoate
monoisotopicmass: 88.040
mass: 88.08520
IAO_0000115: A beta-amino-acid anion that is the conjugate base of beta-alanine.
formula: C3H6NO2
id: CHEBI:63070
inchi: InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/p-1
smiles: NCCC([O-])=O
has db xref: Reaxys:3536336
inchikey: UCMIRNVEIXFBKS-UHFFFAOYSA-M
has related synonym: beta-alaninate anion
has related synonym: beta-alaninate(1-)
has OBO namespace: chebi_ontology
in subset: 3 STAR

4-hydroxyproline zwitterion
type: Class
subclass of: amino acid zwitterion
charge: 0
monoisotopicmass: 131.058
mass: 131.12990
has exact synonym: 4-hydroxypyrrolidinium-2-carboxylate
formula: C5H9NO3
id: CHEBI:63137
inchi: InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)
smiles: OC1C[NH2+]C(C1)C([O-])=O
inchikey: PMMYEEVYMWASQN-UHFFFAOYSA-N
IAO_0000115: The amino acid zwitterion formed from 4-hydroxyproline.
has OBO namespace: chebi_ontology
in subset: 3 STAR

glycosyl compound
type: Class
subclass of: carbohydrate derivative
IAO_0000115: A carbohydrate derivative arising formally from the elimination of water from a glycosidic hydroxy group and an H atom bound to an oxygen, carbon, nitrogen or sulfur atom of a separate entity.
id: CHEBI:63161
has OBO namespace: chebi_ontology
has related synonym: glycosyl compounds
in subset: 3 STAR

ribonucleoside monophosphate oxoanion
type: Class
subclass of: organophosphate oxoanion
IAO_0000115: An organophosphate oxoanion resulting from deprotonation of at least one of the acidic hydroxy groups from the phosphate moiety of a ribonucleoside monophosphate.
id: CHEBI:63165
has OBO namespace: chebi_ontology
has related synonym: ribonucleoside monophosphate oxoanions
in subset: 3 STAR

pyranopterin
type: Class
subclass of: organic heterotricyclic compound
subclass of: organonitrogen heterocyclic compound
subclass of: oxacycle
IAO_0000115: An organic heterotricyclic compound that consists of a pterin ring system having a pyran ring ortho-fused at any position.
id: CHEBI:63169
has OBO namespace: chebi_ontology
has related synonym: pyranopterins
in subset: 3 STAR

oxidising agent
type: Class
subclass of: chemical role
IAO_0000115: A substance that removes electrons from another reactant in a redox reaction.
id: CHEBI:63248
has OBO namespace: chebi_ontology
has related synonym: oxidant
has related synonym: oxidants
has related synonym: oxidiser
has related synonym: oxidisers
has related synonym: oxidising agents
has related synonym: oxidizer
has related synonym: oxidizers
has related synonym: oxidizing agent
has related synonym: oxidizing agents
in subset: 3 STAR

carbohydrate derivative
type: Class
subclass of: carbohydrates and carbohydrate derivatives
IAO_0000115: Any organooxygen compound derived from a carbohydrate by replacement of one or more hydroxy group(s) by an amino group, a thiol group or similar heteroatomic groups. The term also includes derivatives of these compounds.
id: CHEBI:63299
has related synonym: carbohydrate derivatives
has OBO namespace: chebi_ontology
has related synonym: derivatised carbohydrate
has related synonym: derivatised carbohydrates
has related synonym: derivatized carbohydrate
has related synonym: derivatized carbohydrates
in subset: 3 STAR

monosaccharide derivative
type: Class
subclass of: carbohydrate derivative
IAO_0000115: A carbohydrate derivative that is formally obtained from a monosaccharide.
id: CHEBI:63367
has OBO namespace: chebi_ontology
has related synonym: monosaccharide derivatives
in subset: 3 STAR

ketoaldonic acid derivative
type: Class
subclass of: monosaccharide derivative
IAO_0000115: A monosaccharide derivative that is formally obtained from a ketoaldonic acid.
id: CHEBI:63394
has OBO namespace: chebi_ontology
has related synonym: ketoaldonic acid derivatives
in subset: 3 STAR

pentose derivative
type: Class
subclass of: monosaccharide derivative
IAO_0000115: A monosaccharide derivative that is formally obtained from a pentose.
id: CHEBI:63409
has OBO namespace: chebi_ontology
has related synonym: pentose derivatives
in subset: 3 STAR

all-trans-retinyl ester
type: Class
subclass of: retinyl ester
charge: 0
monoisotopicmass: 313.217
mass: 313.45380
IAO_0000115: A retintinyl ester in which all double bonds of the retinyl side-chain have trans-configuration.
formula: C21H29O2R
smiles: CC(\C=C\C=C(C)\C=C\C1=C(C)CCCC1(C)C)=C/COC([*])=O
id: CHEBI:63410
has db xref: HMDB:HMDB0003598
has db xref: KEGG:C02075
has db xref: MetaCyc:All-trans-Retinyl-Esters
has db xref: PMID:12741839
has db xref: PMID:16116091
has db xref: PMID:19490105
has related synonym: an all-trans-retinyl ester
has OBO namespace: chebi_ontology
in subset: 3 STAR

carbohydrate acid derivative
type: Class
subclass of: carbohydrate derivative
IAO_0000115: A carbohydrate derivative that is formally obtained from a carbohydrate acid.
id: CHEBI:63436
has related synonym: carbohydrate acid derivatives
has OBO namespace: chebi_ontology
in subset: 3 STAR

sulfur-containing amino-acid anion
type: Class
subclass of: amino-acid anion
IAO_0000115: A sulfur-containing amino acid whose alpha-carboxylic acid group is ionized (not protonated).
id: CHEBI:63470
has OBO namespace: chebi_ontology
has related synonym: sulfur-containing amino-acid anions
in subset: 3 STAR

branched-chain amino-acid anion
type: Class
subclass of: amino-acid anion
IAO_0000115: A branched-chain amino acid whose alpha-carboxylic acid group is ionized (not protonated).
id: CHEBI:63471
has related synonym: branched-chain amino-acid anions
has OBO namespace: chebi_ontology
in subset: 3 STAR

aromatic amino-acid anion
type: Class
subclass of: amino-acid anion
IAO_0000115: An aromatic amino acid whose alpha-carboxylic acid group is ionized (non-protonated).
id: CHEBI:63473
has related synonym: aromatic amino-acid anions
has OBO namespace: chebi_ontology
in subset: 3 STAR

iodothyroninate
type: Class
subclass of: alpha-amino-acid anion
IAO_0000115: An iodothyronine whose alpha carboxylic acid group of the tyrosine is ionized (not protonated).
id: CHEBI:63477
has OBO namespace: chebi_ontology
has related synonym: iodothyroninates
in subset: 3 STAR

explosive
type: Class
subclass of: chemical role
IAO_0000115: A substance capable of undergoing rapid and highly exothermic decomposition.
id: CHEBI:63490
has db xref: Wikipedia:Explosive_material
has OBO namespace: chebi_ontology
has related synonym: explosive compound
has related synonym: explosive compounds
has related synonym: explosive material
has related synonym: explosives
has related synonym: explosives chemical
has related synonym: explosives chemicals
in subset: 3 STAR

gonadotropin releasing hormone agonist
type: Class
subclass of: hormone agonist
IAO_0000115: Any drug which binds to gonadotropin-releasing hormone receptors and triggers a response.
id: CHEBI:63533
has related synonym: GnRH agonist
has related synonym: GnRH agonists
has related synonym: GnRH-A
has db xref: Wikipedia:Gonadotropin-releasing_hormone_agonist
has OBO namespace: chebi_ontology
has related synonym: gonadotrophin releasing hormone agonist
has related synonym: gonadotrophin releasing hormone agonists
has related synonym: gonadotropin releasing hormone agonists
in subset: 3 STAR

monoamine
type: Class
subclass of: aralkylamino compound
IAO_0000115: An aralylamino compound which contains one amino group connected to an aromatic ring by a two-carbon chain. Monoamines are derived from aromatic amino acids like phenylalanine, tyrosine, tryptophan, and the thyroid hormones by the action of aromatic amino acid decarboxylase enzymes.
id: CHEBI:63534
has db xref: PMID:21822758
has db xref: PMID:21993877
has db xref: PMID:22005599
has db xref: PMID:22082101
has db xref: PMID:22153577
has db xref: PMID:22213370
has db xref: PMID:22218931
has db xref: PMID:22342987
has db xref: PMID:22371656
has OBO namespace: chebi_ontology
has related synonym: monoamines
has related synonym: naturally occurring monoamine
has related synonym: naturally occurring monoamines
in subset: 3 STAR

carbohydrate acid derivative anion
type: Class
subclass of: carboxylic acid anion
IAO_0000115: A carboxylic acid anion resulting from the deprotonation of the carboxy group of a carbohydrate acid derivative.
id: CHEBI:63551
has related synonym: carbohydrate acid anion derivative
has related synonym: carbohydrate acid anion derivatives
has related synonym: carbohydrate acid derivative anions
has OBO namespace: chebi_ontology
in subset: 3 STAR

ketoaldonate derivative
type: Class
subclass of: carbohydrate acid derivative anion
IAO_0000115: A carbohydrate acid derivative anion that is formally obtained from a ketoaldonate.
id: CHEBI:63561
has OBO namespace: chebi_ontology
has related synonym: ketoaldonate derivatives
in subset: 3 STAR

neuroprotective agent
type: Class
subclass of: protective agent
IAO_0000115: Any compound that can be used for the treatment of neurodegenerative disorders.
id: CHEBI:63726
has OBO namespace: chebi_ontology
has related synonym: neuroprotectant
has related synonym: neuroprotectants
has related synonym: neuroprotective agents
in subset: 3 STAR

retinoid X receptor agonist
type: Class
subclass of: agonist
IAO_0000115: An agonist that selectively binds to and activates a retinoid X receptor.
id: CHEBI:63794
has db xref: Wikipedia:Retinoid_X_receptor
has OBO namespace: chebi_ontology
has related synonym: retinoid X receptor agonists
in subset: 3 STAR

protein kinase C agonist
type: Class
subclass of: protein kinase agonist
IAO_0000115: An agonist that selectively binds to and activates a protein kinase C receptor
id: CHEBI:64018
has OBO namespace: chebi_ontology
has related synonym: protein kinase C agonists
in subset: 3 STAR

food additive
type: Class
subclass of: application
subclass of: food component
IAO_0000115: Any substance which is added to food to preserve or enhance its flavour and/or appearance.
id: CHEBI:64047
has db xref: Wikipedia:Food_additive
has OBO namespace: chebi_ontology
has related synonym: food additives
in subset: 3 STAR

food acidity regulator
type: Class
subclass of: food additive
IAO_0000115: A food additive that is used to change or otherwise control the acidity or alkalinity of foods. They may be acids, bases, neutralising agents or buffering agents.
id: CHEBI:64049
has db xref: Wikipedia:Acidity_regulator
has related synonym: acidity regulator
has related synonym: acidity regulators
has OBO namespace: chebi_ontology
has related synonym: food acidity regulators
has related synonym: pH control agent
has related synonym: pH control agents
in subset: 3 STAR

protein kinase agonist
type: Class
subclass of: agonist
IAO_0000115: An agonist that selectively binds to and activates a protein kinase receptor.
id: CHEBI:64106
has OBO namespace: chebi_ontology
has related synonym: protein kinase agonists
in subset: 3 STAR

aralkylamino compound
type: Class
subclass of: organic amino compound
IAO_0000115: An organic amino compound in which an aminoalkyl group is linked to an arene.
id: CHEBI:64365
has related synonym: aralkylamino compounds
has OBO namespace: chebi_ontology
in subset: 3 STAR

biaryl
type: Class
subclass of: organic aromatic compound
IAO_0000115: An organic aromatic compound whose structure contains two aromatic rings or ring systems, joined to each other by a single bond.
id: CHEBI:64459
has related synonym: biaryls
has OBO namespace: chebi_ontology
in subset: 3 STAR

tryptophan zwitterion
type: Class
subclass of: amino acid zwitterion
charge: 0
has related synonym: 2-ammonio-3-(1H-indol-3-yl)propanoate
has exact synonym: 2-azaniumyl-3-(1H-indol-3-yl)propanoate
monoisotopicmass: 204.090
mass: 204.22520
IAO_0000115: An amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of tryptophan; major species at pH 7.3.
formula: C11H12N2O2
id: CHEBI:64554
inchi: InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)
inchikey: QIVBCDIJIAJPQS-UHFFFAOYSA-N
smiles: [NH3+]C(Cc1c[nH]c2ccccc12)C([O-])=O
has OBO namespace: chebi_ontology
in subset: 3 STAR

methionine zwitterion
type: Class
subclass of: amino acid zwitterion
charge: 0
monoisotopicmass: 149.051
mass: 149.21100
has related synonym: 2-ammonio-4-(methylsulfanyl)butanoate
has exact synonym: 2-azaniumyl-4-(methylsulfanyl)butanoate
IAO_0000115: An amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of methionine; major species at pH 7.3.
formula: C5H11NO2S
id: CHEBI:64558
smiles: CSCCC([NH3+])C([O-])=O
inchikey: FFEARJCKVFRZRR-UHFFFAOYSA-N
inchi: InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)
has OBO namespace: chebi_ontology
has related synonym: methionine
in subset: 3 STAR

EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor
type: Class
subclass of: EC 2.1.2.* (hydroxymethyl-, formyl- and related transferases) inhibitor
has related synonym: 5,10-methylenetetrahydrofolate:glycine hydroxymethyltransferase inhibitor
has related synonym: 5,10-methylenetetrahydrofolate:glycine hydroxymethyltransferase inhibitors
IAO_0000115: An EC 2.1.2.* (hydroxymethyl-, formyl- and related transferases) inhibitor that interferes with the action of glycine hydroxymethyltransferase (EC 2.1.2.1).
id: CHEBI:64570
has related synonym: EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitors
has related synonym: EC 2.1.2.1 inhibitor
has related synonym: EC 2.1.2.1 inhibitors
has related synonym: L-serine hydroxymethyltransferase inhibitor
has related synonym: L-serine hydroxymethyltransferase inhibitors
has related synonym: L-threonine aldolase inhibitor
has related synonym: L-threonine aldolase inhibitors
has db xref: Wikipedia:Glycine_hydroxymethyltransferase
has related synonym: allothreonine aldolase inhibitor
has related synonym: allothreonine aldolase inhibitors
has OBO namespace: chebi_ontology
has related synonym: glycine hydroxymethyltransferase (EC 2.1.2.1) inhibitor
has related synonym: glycine hydroxymethyltransferase (EC 2.1.2.1) inhibitors
has related synonym: glycine hydroxymethyltransferase inhibitor
has related synonym: glycine hydroxymethyltransferase inhibitors
has related synonym: serine aldolase inhibitor
has related synonym: serine aldolase inhibitors
has related synonym: serine hydroxymethylase inhibitor
has related synonym: serine hydroxymethylase inhibitors
has related synonym: serine hydroxymethyltransferase inhibitor
has related synonym: serine hydroxymethyltransferase inhibitors
has related synonym: serine transhydroxymethylase inhibitor
has related synonym: serine transhydroxymethylase inhibitors
has related synonym: threonine aldolase inhibitor
has related synonym: threonine aldolase inhibitors
in subset: 3 STAR

NMDA receptor agonist
type: Class
subclass of: excitatory amino acid agonist
IAO_0000115: An excitatory amino acid agonist which binds to NMDA receptors and triggers a response.
id: CHEBI:64571
has related synonym: N-methyl-D-aspartate receptor agonist
has related synonym: N-methyl-D-aspartate receptor agonists
has related synonym: NMDA receptor agonists
has related synonym: NMDAR agonist
has related synonym: NMDAR agonists
has OBO namespace: chebi_ontology
in subset: 3 STAR

flour treatment agent
type: Class
subclass of: food additive
IAO_0000115: A food additive which is added to flour or dough to improve baking quality and/or colour.
id: CHEBI:64577
has db xref: Wikipedia:Flour_treatment_agent
has OBO namespace: chebi_ontology
has related synonym: dough improver
has related synonym: dough improvers
has exact synonym: flour treatment agent
has related synonym: improving agent
has related synonym: improving agents
in subset: 3 STAR

sphingomyelin
type: Class
subclass of: secondary carboxamide
subclass of: ammonium betaine
subclass of: phosphosphingolipid
subclass of: phosphocholines
charge: 0
monoisotopicmass: 282.098
mass: 282.23070
IAO_0000115: Any of a class of phospholipids in which the amino group of a sphingoid base is in amide linkage with one of several fatty acids, while the terminal hydroxy group of the sphingoid base is esterified to phosphorylcholine.
formula: C9H19N2O6PR2
id: CHEBI:64583
smiles: C[N+](C)(C)CCOP([O-])(=O)OC[C@H](NC([*])=O)[C@H](O)[*]
has related synonym: Ceramide phosphocholine
has db xref: LIPID_MAPS_class:LMSP0301
has related synonym: N-(acyl)-sphingosylphosphocholine
has db xref: PMID:27242221
has OBO namespace: chebi_ontology
in subset: 3 STAR

uremic toxin
type: Class
subclass of: toxin
IAO_0000115: A toxin that accumulates in patients with chronic kidney disease.
id: CHEBI:64584
has db xref: Wikipedia:Uremic_toxin
has OBO namespace: chebi_ontology
has related synonym: uremic toxins
in subset: 3 STAR

glycine transporter 1 inhibitor
type: Class
subclass of: glycine transporter inhibitor
IAO_0000115: Any glycine transporter inhibitor that interferes with the action of glycine 1 transporters.
id: CHEBI:64588
has related synonym: GlyT1 inhibitor
has related synonym: GlyT1 inhibitors
has db xref: PMID:17504107
has db xref: PMID:18758757
has db xref: PMID:20678516
has db xref: PMID:21141920
has db xref: PMID:21531289
has db xref: PMID:22177408
has db xref: Wikipedia:Glycine_transporter_1
has OBO namespace: chebi_ontology
has related synonym: glycine transporter 1 inhibitors
in subset: 3 STAR

glycine receptor agonist
type: Class
subclass of: agonist
IAO_0000115: An agonist that binds to and activates glycine receptors
id: CHEBI:64589
has OBO namespace: chebi_ontology
has related synonym: glycine receptor agonists
in subset: 3 STAR

C21-steroid hormone
type: Class
subclass of: steroid hormone
subclass of: C21-steroid
IAO_0000115: A steroid compound with a structure based on a 21-carbon (pregnane) skeleton that acts as a hormone.
has related synonym: C21-steroid hormones
id: CHEBI:64600
has OBO namespace: chebi_ontology
in subset: 3 STAR

ether lipid
type: Class
subclass of: lipid
subclass of: alkylglycerol
IAO_0000115: A lipid similar in structure to a glycerolipid but in which one or more of the carbon atoms on glycerol is bonded to an alkyl chain via an ether linkage, as opposed to the usual ester linkage.
id: CHEBI:64611
has db xref: PMID:21309516
has db xref: PMID:22114698
has db xref: PMID:22148427
has db xref: PMID:22306069
has db xref: PMID:22348073
has db xref: PMID:22366205
has db xref: PMID:22506086
has db xref: PMID:22609598
has db xref: Wikipedia:Ether_lipid
has OBO namespace: chebi_ontology
has related synonym: ether glycerolipid
has related synonym: ether glycerolipids
has related synonym: ether lipids
in subset: 3 STAR

divalent inorganic cation
type: Class
subclass of: inorganic cation
IAO_0000115: An inorganic cation with a valency of two.
id: CHEBI:64641
has OBO namespace: chebi_ontology
in subset: 3 STAR

one-carbon compound
type: Class
subclass of: organic molecular entity
IAO_0000115: An organic molecular entity containing a single carbon atom (C1).
id: CHEBI:64708
has OBO namespace: chebi_ontology
has related synonym: one-carbon compounds
in subset: 3 STAR

organic acid
type: Class
subclass of: organic molecular entity
IAO_0000115: Any organic molecular entity that is acidic and contains carbon in covalent linkage.
id: CHEBI:64709
has OBO namespace: chebi_ontology
has related synonym: organic acids
in subset: 3 STAR

anionic group
type: Class
subclass of: group
IAO_0000115: A group that carries an overall negative charge.
id: CHEBI:64767
has related synonym: anionic groups
has OBO namespace: chebi_ontology
in subset: 3 STAR

organic anionic group
type: Class
subclass of: anionic group
IAO_0000115: An anionic group that contains carbon.
id: CHEBI:64775
has OBO namespace: chebi_ontology
has related synonym: organic anionic groups
in subset: 3 STAR

cosmetic
type: Class
subclass of: application
id: CHEBI:64857
IAO_0000115: The role played by a substance in enhancing the appearance or odour of the human body; a name given to the substance itself or to a component of it.
has db xref: Wikipedia:Cosmetics
has OBO namespace: chebi_ontology
has related synonym: cosmetic component
has related synonym: cosmetics
in subset: 3 STAR

poison
type: Class
subclass of: biological role
IAO_0000115: Any substance that causes disturbance to organisms by chemical reaction or other activity on the molecular scale, when a sufficient quantity is absorbed by the organism.
id: CHEBI:64909
has db xref: Wikipedia:Poison
has OBO namespace: chebi_ontology
has related synonym: poisonous agent
has related synonym: poisonous agents
has related synonym: poisonous substance
has related synonym: poisonous substances
has related synonym: poisons
has related synonym: toxic agent
has related synonym: toxic agents
has related synonym: toxic substance
has related synonym: toxic substances
in subset: 3 STAR

antimitotic
type: Class
subclass of: pharmacological role
IAO_0000115: Any compound that inhibits cell division (mitosis).
id: CHEBI:64911
has db xref: Wikipedia:Mitotic_inhibitor
has related synonym: antimitotics
has OBO namespace: chebi_ontology
has related synonym: mitosis inhibitor
has related synonym: mitosis inhibitors
has related synonym: mitotic inhibitor
has related synonym: mitotic inhibitors
in subset: 3 STAR

antiplasmodial drug
type: Class
subclass of: antiparasitic agent
subclass of: antiprotozoal drug
IAO_0000115: An antiparasitic drug which is effective against Apicomplexan parasites in the genus Plasmodium. The genus contains over 200 species and includes those responsible for malaria.
id: CHEBI:64915
has related synonym: antiplasmodial agent
has related synonym: antiplasmodial agents
has related synonym: antiplasmodial drugs
has related synonym: antiplasmodium agent
has related synonym: antiplasmodium agents
has related synonym: antiplasmodium drug
has related synonym: antiplasmodium drugs
has OBO namespace: chebi_ontology
in subset: 3 STAR

lipoprotein
type: Class
subclass of: conjugated protein
subclass of: clathrate compound
subclass of: Restriction
  on property: has part
  some values from: apolipoprotein
IAO_0000115: A clathrate complex consisting of a lipid enwrapped in a protein host without covalent binding in such a way that the complex has a hydrophilic outer surface consisting of all the protein and the polar ends of any phospholipids.
id: CHEBI:6495
has db xref: KEGG:C01834
has exact synonym: Lipoprotein
has OBO namespace: chebi_ontology
has related synonym: lipoprotein particle
has exact synonym: lipoproteins
in subset: 3 STAR

anti-asthmatic agent
type: Class
subclass of: application
IAO_0000115: Any compound that has anti-asthmatic effects.
id: CHEBI:65023
has related synonym: anti-asthmatic agents
has related synonym: antiasthmatic agent
has related synonym: antiasthmatic agents
has OBO namespace: chebi_ontology
in subset: 3 STAR

polysaccharide derivative
type: Class
subclass of: biomacromolecule
subclass of: carbohydrate derivative
IAO_0000115: A carbohydrate derivative that is any derivative of a polysaccharide.
id: CHEBI:65212
has OBO namespace: chebi_ontology
has related synonym: polysaccharide derivatives
in subset: 3 STAR

food preservative
type: Class
subclass of: food additive
id: CHEBI:65255
IAO_0000115: Substances which are added to food in order to prevent decomposition caused by microbial growth or by undesirable chemical changes.
has OBO namespace: chebi_ontology
has related synonym: food preservatives
in subset: 3 STAR

antimicrobial food preservative
type: Class
subclass of: antimicrobial agent
subclass of: food preservative
IAO_0000115: A food preservative which prevents decomposition of food by preventing the growth of fungi or bacteria. In European countries, E-numbers for permitted food preservatives are from E200 to E299, divided into sorbates (E200-209), benzoates (E210-219), sulfites (E220-229), phenols and formates (E230-239), nitrates (E240-259), acetates (E260-269), lactates (E270-279), propionates (E280-289) and others (E290-299).
id: CHEBI:65256
has related synonym: antimicrobial food preservatives
has related synonym: antimicrobial preservative
has related synonym: antimicrobial preservatives
has OBO namespace: chebi_ontology
in subset: 3 STAR

GABA antagonist
type: Class
subclass of: antagonist
subclass of: GABA agent
IAO_0000115: A compound that inhibits the action of gamma-aminobutyric acid.
id: CHEBI:65259
has related synonym: GABA antagonists
has db xref: Wikipedia:GABA_antagonist
has OBO namespace: chebi_ontology
has related synonym: gamma-aminobutyric acid receptor antagonist
has related synonym: gamma-aminobutyric acid receptor antagonists
in subset: 3 STAR

antacid
type: Class
subclass of: drug
subclass of: pharmacological role
IAO_0000115: Any substance which is used to neutralise stomach acidity.
id: CHEBI:65265
has db xref: Wikipedia:Antacid
has related synonym: antacids
has OBO namespace: chebi_ontology
in subset: 3 STAR

primary ammonium ion
type: Class
subclass of: organic cation
subclass of: ammonium ion
charge: +1
monoisotopicmass: 17.027
IAO_0000115: An ammonium ion resulting from the protonation of the nitrogen atom of a primary amine. Major species at pH 7.3.
id: CHEBI:65296
formula: H3NR
smiles: [NH3+][*]
has related synonym: a primary amine
has OBO namespace: chebi_ontology
has related synonym: substituted ammonium
in subset: 3 STAR

C4-dicarboxylic acid
type: Class
subclass of: dicarboxylic acid
IAO_0000115: Any dicarboxylic acid that contains four carbon atoms.
has related synonym: C4-dicarboxylic acids
id: CHEBI:66873
has OBO namespace: chebi_ontology
in subset: 3 STAR

carnosinate
type: Class
subclass of: N-acyl-L-alpha-amino acid anion
has exact synonym: (2S)-2-(beta-alanylamino)-3-(1H-imidazol-4-yl)propanoate
charge: -1
monoisotopicmass: 225.099
mass: 225.22450
IAO_0000115: An N-acyl-L-alpha-amino acid anion that is the conjugate base of carnosine, obtained by deprotonation of the carboxy group.
formula: C9H13N4O3
id: CHEBI:66874
inchikey: CQOVPNPJLQNMDC-ZETCQYMHSA-M
inchi: InChI=1S/C9H14N4O3/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6/h4-5,7H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16)/p-1/t7-/m0/s1
has related synonym: N(alpha)-(beta-alanyl)-L-histidinate
smiles: NCCC(=O)N[C@@H](Cc1c[nH]cn1)C([O-])=O
has db xref: Reaxys:6337985
has related synonym: carnosinate anion
has related synonym: carnosinate(1-)
has OBO namespace: chebi_ontology
in subset: 3 STAR

N-alkylglycine zwitterion
type: Class
subclass of: amino acid zwitterion
charge: 0
monoisotopicmass: 74.024
IAO_0000115: An amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of any N-alkylglycine; major species at pH 7.3.
formula: C2H4NO2R
id: CHEBI:66884
has db xref: MetaCyc:N-Alkylglycine
has db xref: PMID:9989229
smiles: [O-]C(=O)C[NH2+][*]
has related synonym: an N-alkylglycine
has OBO namespace: chebi_ontology
in subset: 3 STAR

alanine zwitterion
type: Class
subclass of: amino acid zwitterion
charge: 0
has related synonym: 2-ammoniopropanoate
has exact synonym: 2-azaniumylpropanoate
monoisotopicmass: 89.048
mass: 89.09320
IAO_0000115: An amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of alanine; major species at pH 7.3.
formula: C3H7NO2
smiles: CC([NH3+])C([O-])=O
id: CHEBI:66916
inchi: InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)
inchikey: QNAYBMKLOCPYGJ-UHFFFAOYSA-N
has OBO namespace: chebi_ontology
in subset: 3 STAR

citrullinate
type: Class
subclass of: alpha-amino-acid anion
charge: -1
monoisotopicmass: 174.088
mass: 174.17780
has exact synonym: 2-amino-5-(carbamoylamino)pentanoate
IAO_0000115: An alpha-amino acid anion that is the conjugate base of citrulline, obtained by deprotonation of the carboxy group.
formula: C6H12N3O3
id: CHEBI:66922
inchi: InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/p-1
smiles: NC(CCCNC(N)=O)C([O-])=O
inchikey: RHGKLRLOHDJJDR-UHFFFAOYSA-M
has OBO namespace: chebi_ontology
in subset: 3 STAR

creatinate
type: Class
subclass of: alpha-amino-acid anion
has related synonym: (N-methylcarbamimidamido)acetate
charge: -1
monoisotopicmass: 130.062
mass: 130.12520
IAO_0000115: An alpha-amino acid anion that is the conjugate base of creatine, obtained by deprotonation of the carboxy group.
formula: C4H8N3O2
id: CHEBI:66924
smiles: CN(CC([O-])=O)C(N)=N
inchikey: CVSVTCORWBXHQV-UHFFFAOYSA-M
inchi: InChI=1S/C4H9N3O2/c1-7(4(5)6)2-3(8)9/h2H2,1H3,(H3,5,6)(H,8,9)/p-1
has related synonym: N-[amino(imino)methyl]-N-methylglycinate
has OBO namespace: chebi_ontology
in subset: 3 STAR

N-alkylglycine
type: Class
subclass of: glycine derivative
subclass of: non-proteinogenic alpha-amino acid
charge: 0
monoisotopicmass: 74.024
IAO_0000115: Any glycine derivative in which glycine is substituted at position 2 by an alkyl group.
formula: C2H4NO2R
id: CHEBI:66933
has db xref: MetaCyc:N-Alkylglycine
has related synonym: N-alkylglycines
smiles: OC(=O)CN[*]
has db xref: PMID:9989229
has OBO namespace: chebi_ontology
in subset: 3 STAR

homocysteinate
type: Class
subclass of: alpha-amino-acid anion
charge: -1
monoisotopicmass: 134.028
mass: 134.17700
has exact synonym: 2-amino-4-sulfanylbutanoate
IAO_0000115: An alpha-amino acid anion that is the conjugate base of homocysteine, obtained by deprotonation of the carboxy group.
formula: C4H8NO2S
id: CHEBI:66952
inchikey: FFFHZYDWPBMWHY-UHFFFAOYSA-M
inchi: InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)/p-1
smiles: NC(CCS)C([O-])=O
has OBO namespace: chebi_ontology
in subset: 3 STAR

folates
type: Class
subclass of: N-acyl-L-alpha-amino acid anion
IAO_0000115: An N-acyl-L-alpha-amino acid anion obtained by deprotonation of any folic acid.
id: CHEBI:67011
has OBO namespace: chebi_ontology
has related synonym: folate
has related synonym: folate anion
has related synonym: folate anions
in subset: 3 STAR

methyl-branched fatty acid anion
type: Class
subclass of: branched-chain fatty acid anion
IAO_0000115: Any branched-chain fatty acid anion containing methyl branches only.
id: CHEBI:67013
has OBO namespace: chebi_ontology
has related synonym: methyl-branched fatty acid anions
in subset: 3 STAR

tetrahydrofolate
type: Class
subclass of: folates
IAO_0000115: A folate obtained by deprotonation of any tetrahydrofolic acid.
id: CHEBI:67016
has OBO namespace: chebi_ontology
has related synonym: tetrahydrofolate anion
has related synonym: tetrahydrofolate anions
has related synonym: tetrahydrofolates
in subset: 3 STAR

anti-inflammatory agent
type: Class
subclass of: application
IAO_0000115: Any compound that has anti-inflammatory effects.
id: CHEBI:67079
has related synonym: anti-inflammatory agents
has related synonym: antiinflammatory agent
has related synonym: antiinflammatory agents
has OBO namespace: chebi_ontology
in subset: 3 STAR

ryanodine receptor agonist
type: Class
subclass of: ryanodine receptor modulator
IAO_0000115: A ryanodine receptor modulator which activates the receptor. Ryanodine receptors (RyRs) act as selective ion channels, modulating the release of calcium. Activating the receptors causes the release of calcium, so depleting internal calcium and ultimately preventing further muscle contraction.
id: CHEBI:67114
has db xref: PMID:8597061
has related synonym: RyR activator
has related synonym: RyR activators
has related synonym: RyR agonist
has related synonym: RyR agonists
has related synonym: RyRs activator
has related synonym: RyRs agonist
has db xref: Wikipedia:Ryanodine_receptor
has OBO namespace: chebi_ontology
has related synonym: ryanodine receptor activator
has related synonym: ryanodine receptor activators
in subset: 3 STAR

nucleobase analogue
type: Class
subclass of: organic cyclic compound
IAO_0000115: A molecule that can substitute for a normal nucleobase in nucleic acids.
id: CHEBI:67142
has db xref: Wikipedia:Base_analog
has related synonym: base analog
has related synonym: base analogs
has related synonym: base analogue
has related synonym: base analogues
has OBO namespace: chebi_ontology
has related synonym: nucleobase analog
has related synonym: nucleobase analogs
has related synonym: nucleobase analogues
in subset: 3 STAR

gap junctional intercellular communication inhibitor
type: Class
subclass of: inhibitor
IAO_0000115: An inhibitor that interferes with the process of gap junctional intercellular communication.
id: CHEBI:67195
has db xref: Wikipedia:Gap_junction
has OBO namespace: chebi_ontology
has related synonym: gap junctional intercellular communication inhibitors
in subset: 3 STAR

retinoic acid receptor agonist
type: Class
subclass of: agonist
subclass of: retinoic acid receptor modulator
IAO_0000115: An agonist that selectively binds to and activates a retinoic acid receptor.
id: CHEBI:67198
has db xref: Wikipedia:Retinoic_acid_receptor
has OBO namespace: chebi_ontology
has related synonym: retinoic acid receptor agonists
in subset: 3 STAR

AP-1 antagonist
type: Class
subclass of: antagonist
has related synonym: AP-1 antagonists
IAO_0000115: An antogonist that interferes with the action of activator protein 1 (AP-1).
id: CHEBI:67199
has db xref: Wikipedia:Activator_protein_1
has related synonym: activator protein-1 antagonist
has related synonym: activator protein-1 antagonists
has OBO namespace: chebi_ontology
in subset: 3 STAR

provitamin A
type: Class
subclass of: provitamin
IAO_0000115: A provitamin that can be converted into vitamin A by enzymes from animal tissues.
id: CHEBI:67200
has OBO namespace: chebi_ontology
has related synonym: provitamin As
in subset: 3 STAR

methomyl
type: Class
subclass of: aliphatic sulfide
subclass of: carbamate ester
charge: 0
has related synonym: 1-(Methylthio)acetaldehyde O-methylcarbamoyloxime
has related synonym: 1-(Methylthio)ethylideneamino methylcarbamate
monoisotopicmass: 162.046
mass: 162.21118
IAO_0000115: A carbamate ester obtained by the formal condensation of methylcarbamic acid with the hydroxy group of 1-(methylsulfanyl)acetaldoxime.
has db xref: Beilstein:2042050
formula: C5H10N2O2S
has db xref: CAS:16752-77-5
id: CHEBI:6835
smiles: CNC(=O)ON=C(C)SC
has db xref: HMDB:HMDB0031804
inchi: InChI=1S/C5H10N2O2S/c1-4(10-3)7-9-5(8)6-2/h1-3H3,(H,6,8)
has db xref: KEGG:C11196
has db xref: LINCS:LSM-24991
has related synonym: Lannate
has exact synonym: Methomyl
has related synonym: Methomyl lannate
has related synonym: N-(((methylamino)carbonyl)oxy)ethanimidothioic acid methyl ester
has db xref: PMID:11327381
has db xref: PMID:11758270
has db xref: PPDB:458
has db xref: Pesticides:methomyl
has db xref: Reaxys:2042050
has related synonym: S-Methyl N-(methylcarbamoyloxy)thioacetimidate
inchikey: UHXUZOCRWCRNSJ-UHFFFAOYSA-N
has db xref: Wikipedia:Methomyl
has OBO namespace: chebi_ontology
has exact synonym: methyl N-(methylcarbamoyloxy)ethanimidothioate
in subset: 3 STAR

azole
type: Class
subclass of: organonitrogen heterocyclic compound
subclass of: monocyclic heteroarene
IAO_0000115: Any monocyclic heteroarene consisting of a five-membered ring containing nitrogen. Azoles can also contain one or more other non-carbon atoms, such as nitrogen, sulfur or oxygen.
id: CHEBI:68452
has db xref: Wikipedia:Azole
has related synonym: azoles
has OBO namespace: chebi_ontology
in subset: 3 STAR

apoptosis inducer
type: Class
subclass of: biochemical role
IAO_0000115: Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
id: CHEBI:68495
has related synonym: Type I cell-death inducer
has related synonym: Type I cell-death inducers
has related synonym: Type I programmed cell-death inducer
has related synonym: Type I programmed cell-death inducers
has related synonym: apoptosis inducers
has OBO namespace: chebi_ontology
in subset: 3 STAR

3-methylglutaric acid
type: Class
subclass of: alpha,omega-dicarboxylic acid
charge: 0
monoisotopicmass: 146.058
mass: 146.14120
has exact synonym: 3-methylpentanedioic acid
IAO_0000115: An alpha,omega-dicarboxylic acid that is glutaric acid substituted at position 3 by a methyl group.
formula: C6H10O4
has db xref: CAS:626-51-7
smiles: CC(CC(O)=O)CC(O)=O
id: CHEBI:68566
has db xref: HMDB:HMDB0000752
inchi: InChI=1S/C6H10O4/c1-4(2-5(7)8)3-6(9)10/h4H,2-3H2,1H3,(H,7,8)(H,9,10)
has db xref: LIPID_MAPS_instance:LMFA01170117
has db xref: PMID:22770225
has db xref: Reaxys:1759502
inchikey: XJMMNTGIMDZPMU-UHFFFAOYSA-N
has related synonym: beta-methylglutaric acid
has OBO namespace: chebi_ontology
in subset: 3 STAR

(-)-cotinine
type: Class
subclass of: pyridines
subclass of: pyrrolidine alkaloid
subclass of: N-alkylpyrrolidine
subclass of: pyrrolidin-2-ones
has exact synonym: (5S)-1-methyl-5-(pyridin-3-yl)pyrrolidin-2-one
has related synonym: (S)-(-)-Cotinine
has related synonym: (S)-1-Methyl-5-(3-pyridinyl)-2-pyrrolidinone
has related synonym: (S)-Cotinine
charge: 0
monoisotopicmass: 176.095
mass: 176.21510
IAO_0000115: An N-alkylpyrrolidine that consists of N-methylpyrrolidinone bearing a pyridin-3-yl substituent at position C-5 (the 5S-enantiomer). It is an alkaloid commonly found in Nicotiana tabacum.
formula: C10H12N2O
has db xref: CAS:486-56-6
id: CHEBI:68641
has db xref: Drug_Central:737
has db xref: HMDB:HMDB0001046
inchi: InChI=1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3/t9-/m0/s1
has db xref: KNApSAcK:C00034470
has db xref: LINCS:LSM-5986
has db xref: MetaCyc:CPD-2742
has db xref: PMID:14700346
has db xref: PMID:21655912
has db xref: PMID:21953524
has db xref: PMID:22027507
has db xref: PMID:22137886
has db xref: PMID:22169225
has db xref: PMID:22180597
has db xref: PMID:22200307
has db xref: PMID:22244928
has db xref: PMID:22253001
has db xref: PMID:22434216
has db xref: PMID:22460317
has db xref: PMID:22487419
has db xref: PMID:22489581
has db xref: PMID:22574797
has db xref: PMID:22608097
has db xref: PMID:22678157
has db xref: PMID:22687995
has db xref: PMID:22770225
has db xref: PMID:22809871
has db xref: PMID:22871902
has db xref: PMID:22878732
has db xref: PMID:22899265
has db xref: PMID:22919158
has db xref: PMID:23000417
has db xref: PMID:23011941
has db xref: PMID:23087643
has db xref: Reaxys:5736575
has db xref: Reaxys:83099
inchikey: UIKROCXWUNQSPJ-VIFPVBQESA-N
has db xref: Wikipedia:Cotinine
smiles: [H][C@]1(CCC(=O)N1C)c1cccnc1
has OBO namespace: chebi_ontology
has related synonym: cotinina
has related synonym: cotinine
has related synonym: cotininum
in subset: 3 STAR

myoglobin
type: Class
subclass of: globin
id: CHEBI:7044
has db xref: COMe:PRX000322
has db xref: KEGG:C05782
has exact synonym: Myoglobin
has OBO namespace: chebi_ontology
has related synonym: vertebrate myoglobin
in subset: 3 STAR

progesterone receptor agonist
type: Class
subclass of: hormone agonist
IAO_0000115: A hormone agonist that binds to and activates progesterone receptors.
id: CHEBI:70709
has related synonym: PR agonist
has related synonym: PR agonists
has OBO namespace: chebi_ontology
has related synonym: progesterone receptor agonists
in subset: 3 STAR

adenosine receptor antagonist
type: Class
subclass of: antagonist
IAO_0000115: An antagonist at any adenosine receptor.
id: CHEBI:71232
has db xref: Wikipedia:Adenosine_receptor
has related synonym: adenosine receptor antagonists
has OBO namespace: chebi_ontology
in subset: 3 STAR

EC 2.* (transferase) inhibitor
type: Class
subclass of: enzyme inhibitor
IAO_0000115: An enzyme inhibitor that inhibits the action of a transferase (EC 2.*)
id: CHEBI:71300
has related synonym: EC 2 inhibitor
has related synonym: EC 2 inhibitors
has related synonym: EC 2.* (transferase) inhibitors
has related synonym: EC 2.* inhibitor
has related synonym: EC 2.* inhibitors
has db xref: Wikipedia:Transferase
has OBO namespace: chebi_ontology
has related synonym: transferase inhibitor
has related synonym: transferase inhibitors
in subset: 3 STAR

gamma-amino acid anion
type: Class
subclass of: amino-acid anion
IAO_0000115: An amino-acid anion in which the amino group is situated gamma- to the carboxylate group.
id: CHEBI:71666
has OBO namespace: chebi_ontology
has related synonym: gamma-amino acid anions
in subset: 3 STAR

aldonate(1-)
type: Class
subclass of: carbohydrate acid anion
charge: -1
monoisotopicmass: 105.019
mass: 105.06940
IAO_0000115: A carbohydrate acid anion obtained by deprotonation of any aldonic acid. Major structure at pH 7.3 of aldonate compounds.
formula: C3H5O4
id: CHEBI:71671
has related synonym: aldonates
has related synonym: an aldonate
has OBO namespace: chebi_ontology
in subset: 3 STAR

organic molecule
type: Class
subclass of: molecule
subclass of: organic molecular entity
IAO_0000115: Any molecule that consists of at least one carbon atom as part of the electrically neutral entity.
id: CHEBI:72695
has OBO namespace: chebi_ontology
has related synonym: organic compound
has related synonym: organic compounds
has related synonym: organic molecules
in subset: 3 STAR

exopolysaccharide
type: Class
subclass of: biomacromolecule
IAO_0000115: A biomacromolecule composed of carbohydrate residues which is secreted by a microorganism into the surrounding environment.
id: CHEBI:72813
has db xref: MetaCyc:Exopolysaccharides
has db xref: PMID:11160795
has db xref: PMID:11785425
has db xref: PMID:1444258
has db xref: PMID:15738217
has db xref: PMID:16075348
has db xref: PMID:17440912
has db xref: PMID:18097339
has db xref: PMID:19453747
has db xref: PMID:20172021
has db xref: PMID:20631870
has db xref: PMID:20718297
has db xref: PMID:2688547
has db xref: PMID:6354590
has db xref: Wikipedia:Exopolysaccharide
has db xref: Wikipedia:Extracellular_polymeric_substance
has OBO namespace: chebi_ontology
has related synonym: exopolysaccharides
has related synonym: extracellular polymeric substance
has related synonym: extracellular polymeric substances
in subset: 3 STAR

vulnerary
type: Class
subclass of: drug
IAO_0000115: A drug used in treating and healing of wounds.
id: CHEBI:73336
has db xref: Wikipedia:Wound_healing
has OBO namespace: chebi_ontology
has related synonym: vulneraries
has related synonym: wound-healing agent
has related synonym: wound-healing agents
has related synonym: wound-healing drug
has related synonym: wound-healing drugs
in subset: 3 STAR

indole skeleton
type: Class
subclass of: organic heterobicyclic ring
charge: 0
monoisotopicmass: 110.003
mass: 110.09230
IAO_0000115: A mancude heterobicyclic organic group consisting of a benzene ring fused to a pyrrole ring.
formula: C8N
id: CHEBI:73398
has OBO namespace: chebi_ontology
in subset: 3 STAR

organic heterobicyclic ring
type: Class
subclass of: cyclic organic group
IAO_0000115: A bicyclic organic group that contains both carbon and hetero atoms.
id: CHEBI:73541
has OBO namespace: chebi_ontology
has related synonym: organic heterobicyclic rings
in subset: 3 STAR

D3 vitamins
type: Class
subclass of: vitamin D
IAO_0000115: A vitamin D that is calciol or its hydroxylated metabolites calcidiol and calcitriol. Calciol (also known as vitamin D3) acts as a hormone precursor, being hydroxylated in the liver to calcidiol (25-hydroxyvitamin D3), which is then further hydroxylated in the kidney to give calcitriol (1,25-dihydroxyvitamin D3), the active hormone.
id: CHEBI:73558
has related synonym: D3 vitamin
has OBO namespace: chebi_ontology
has related synonym: vitamin D3s
in subset: 3 STAR

ketone body
type: Class
subclass of: carbonyl compound
subclass of: fatty acid derivative
IAO_0000115: A carbonyl compound produced as a water-soluble byproduct when fatty acids are broken down for energy in the liver. There are three endogenous ketone bodies: acetone, acetoacetic acid, and (R)-3-hydroxybutyric acid; others may be produced as a result of the metabolism of synthetic triglycerides.
id: CHEBI:73693
has db xref: PMID:10634967
has db xref: PMID:19159745
has db xref: PMID:22259088
has db xref: PMID:22268909
has db xref: PMID:22524563
has db xref: PMID:22879057
has db xref: PMID:23082721
has db xref: PMID:23148246
has db xref: PMID:23396451
has db xref: PMID:23466063
has db xref: PMID:23557707
has db xref: Wikipedia:Ketone_body
has OBO namespace: chebi_ontology
has related synonym: ketone bodies
in subset: 3 STAR

ethylmalonic acid
type: Class
subclass of: dicarboxylic acid
charge: 0
has related synonym: 1,1-propanedicarboxylic acid
monoisotopicmass: 132.042
mass: 132.11460
has related synonym: 2-ethylmalonic acid
IAO_0000115: A dicarboxylic acid obtained by substitution of one of the methylene hydrogens of malonic acid by an ethyl group.
formula: C5H8O4
has db xref: CAS:516-05-2
has db xref: CAS:601-75-2
smiles: CCC(C(O)=O)C(O)=O
id: CHEBI:741548
has db xref: HMDB:HMDB0000622
inchi: InChI=1S/C5H8O4/c1-2-3(4(6)7)5(8)9/h3H,2H2,1H3,(H,6,7)(H,8,9)
has db xref: PMID:20187168
has db xref: PMID:22133302
has db xref: PMID:23161776
has db xref: PMID:6860317
has db xref: Reaxys:774334
inchikey: UKFXDFUAPNAMPJ-UHFFFAOYSA-N
has related synonym: alpha-carboxybutyric acid
has OBO namespace: chebi_ontology
has exact synonym: ethylpropanedioic acid
in subset: 3 STAR

gamma-lactam
type: Class
subclass of: lactam
IAO_0000115: A lactam in which the amide bond is contained within a five-membered ring, which includes the amide nitrogen and the carbonyl carbon.
id: CHEBI:74222
has OBO namespace: chebi_ontology
has related synonym: gamma-lactams
in subset: 3 STAR

pyrrolidin-2-ones
type: Class
subclass of: pyrrolidinone
subclass of: gamma-lactam
charge: 0
has related synonym: 2-pyrrolidinones
has related synonym: 2-pyrrolidones
monoisotopicmass: 77.998
mass: 78.04890
IAO_0000115: A pyrrolidinone in which the oxo group is at position 2 of the pyrrolidine ring.
formula: C4NOR7
id: CHEBI:74223
has OBO namespace: chebi_ontology
has related synonym: pyrrolidine-2-ones
in subset: 3 STAR

1-(5-hydroxy-2-oxo-2,3-dihydroimidazol-4-yl)urea
type: Class
subclass of: ureas
subclass of: imidazolidinone
charge: 0
has exact synonym: 1-(5-hydroxy-2-oxo-2,3-dihydro-1H-imidazol-4-yl)urea
monoisotopicmass: 158.044
mass: 158.11540
has related synonym: 2-oxo-4-hydroxy-5-ureidoimidazoline
IAO_0000115: An imidazolidinone that is imidazolin-2-one substituted at positions 4 and 5 by hydroxy and ureido groups respectively.
formula: C4H6N4O3
id: CHEBI:74345
inchi: InChI=1S/C4H6N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h9H,(H3,5,6,10)(H2,7,8,11)
inchikey: MLVVTNIFHMERMU-UHFFFAOYSA-N
smiles: NC(=O)Nc1[nH]c(=O)[nH]c1O
has db xref: PMID:20826786
has related synonym: allantoin, enol-form
has OBO namespace: chebi_ontology
in subset: 3 STAR

astringent
type: Class
subclass of: drug
IAO_0000115: A compound that causes the contraction of body tissues, typically used to reduce bleeding from minor abrasions.
id: CHEBI:74783
has db xref: Wikipedia:Astringent
has related synonym: adstringent
has related synonym: adstringents
has related synonym: astringents
has OBO namespace: chebi_ontology
in subset: 3 STAR

cathartic
type: Class
subclass of: biophysical role
IAO_0000115: Any substance that accelerates defecation. Compare with laxatives, which are substances that ease defecation (usually by softening faeces). A substance can be both a laxative and a cathartic.
id: CHEBI:75325
has db xref: Wikipedia:Cathartic
has related synonym: cathartics
has OBO namespace: chebi_ontology
in subset: 3 STAR

ghrelin
type: Class
subclass of: polypeptide
subclass of: peptide hormone
charge: 0
monoisotopicmass: 3368.879
mass: 3370.867
IAO_0000115: A 28-membered appetite-stimulating polypeptide consisting of Gly, Ser, Ser(octanoyl), Phe, Leu, Ser, Pro, Glu, His, Gln, Arg, Val, Gln, Gln, Arg, Lys, Glu, Ser, Lys, Lys, Pro, Pro, Ala, Lys, Leu, Gln, Pro and Arg residues joined in sequence. The O-n-octanoylation of the side-chain hydroxy group of serine-3 (Ser3) is essential for ghrelin's activity.
formula: C149H249N47O42
has db xref: CAS:258279-04-8
has db xref: CAS:304853-26-7
id: CHEBI:75431
inchikey: GNKDKYIHGQKHHM-RJKLHVOGSA-N
has related synonym: GS-S(n-octanoyl)-FLSPEHQRVQQRKESKKPPAKLQPR
has related synonym: GSS(octanoyl)FLSPEHQRVQQRKESKKPPAKLQPR
has related synonym: Gastric MLTRP
has related synonym: Ghrelin (human)
has related synonym: Gly-Ser-Ser(octanoyl)-Phe-Leu-Ser-Pro-Glu-His-Gln-Arg-Val-Gln-Gln-Arg-Lys-Glu-Ser-Lys-Lys-Pro-Pro-Ala-Lys-Leu-Gln-Pro-Arg
has related synonym: H-Gly-Ser-Ser(n-octanoyl)-Phe-Leu-Ser-Pro-Glu-His-Gln-Arg-Val-Gln-Gln-Arg-Lys-Glu-Ser-Lys-Lys-Pro-Pro-Ala-Lys-Leu-Gln-Pro-Arg-OH
has related synonym: Human ghrelin
has db xref: KEGG:C16025
has related synonym: Motilin-related peptide
has db xref: PMID:15788704
has db xref: PMID:23159561
has db xref: PMID:23178701
has db xref: PMID:23278489
has db xref: PMID:23307791
has db xref: PMID:23316086
has db xref: PMID:23317782
has db xref: PMID:23359315
has db xref: PMID:23428971
has db xref: PMID:23481295
has db xref: PMID:23524619
has db xref: PMID:23624808
has db xref: PMID:23631903
has db xref: PMID:23652386
has db xref: PMID:23652399
has db xref: PMID:23652420
has db xref: PMID:23698230
has db xref: PMID:23704134
has db xref: PMID:23778458
has db xref: PMID:23804489
has db xref: PMID:23808302
has db xref: PMID:23843943
has db xref: PMID:23847595
has db xref: PMID:23965296
has db xref: PMID:23982275
has db xref: PMID:23989358
has db xref: PMID:28538835
has db xref: PMID:28542403
has db xref: PMID:28547758
has db xref: PMID:28590260
has db xref: PMID:28621678
has db xref: PMID:28704966
has db xref: Reaxys:24715767
has db xref: Wikipedia:Ghrelin
has OBO namespace: chebi_ontology
has exact synonym: glycyl-L-seryl-O-octanoyl-L-seryl-L-phenylalanyl-L-leucyl-L-seryl-L-prolyl-L-alpha-glutamyl-L-histidyl-L-glutaminyl-L-arginyl-L-valyl-L-glutaminyl-L-glutaminyl-L-arginyl-L-lysyl-L-alpha-glutamyl-L-seryl-L-lysyl-L-lysyl-L-prolyl-L-prolyl-L-alanyl-L-lysyl-L-leucyl-L-glutaminyl-L-prolyl-L-arginine
has related synonym: lenomorelin
has related synonym: lenomorelina
has related synonym: lenomoreline
has related synonym: lenomorelinum
in subset: 3 STAR

EC 6.3.* (C-N bond-forming ligase) inhibitor
type: Class
subclass of: EC 6.* (ligase) inhibitor
IAO_0000115: A ligase inhibitor that interferes with the action of a C-N bond-forming ligase (EC 6.3.*.*).
has related synonym: C--N bond-forming ligase inhibitor
has related synonym: C--N bond-forming ligase inhibitors
has related synonym: C-N bond-forming ligase (EC 6.3.*) inhibitor
has related synonym: C-N bond-forming ligase (EC 6.3.*) inhibitors
has related synonym: C-N bond-forming ligase inhibitor
has related synonym: C-N bond-forming ligase inhibitors
id: CHEBI:75600
has related synonym: EC 6.3.* (C-N bond-forming ligase) inhibitorS
has related synonym: EC 6.3.* inhibitor
has related synonym: EC 6.3.* inhibitors
has related synonym: EC 6.3.*.* inhibitor
has related synonym: EC 6.3.*.* inhibitors
has OBO namespace: chebi_ontology
in subset: 3 STAR

EC 6.* (ligase) inhibitor
type: Class
subclass of: enzyme inhibitor
IAO_0000115: Any enzyme inhibitor that interferes with the action of a ligase (EC 6.*.*.*). Ligases are enzymes that catalyse the joining of two molecules with concomitant hydrolysis of the diphosphate bond in ATP or a similar triphosphate.
id: CHEBI:75603
has related synonym: EC 6.* (ligase) inhibitors
has related synonym: EC 6.* inhibitor
has related synonym: EC 6.* inhibitors
has related synonym: EC 6.*.*.* inhibitor
has related synonym: EC 6.*.*.* inhibitors
has db xref: Wikipedia:Ligase
has OBO namespace: chebi_ontology
has related synonym: ligase inhibitor
has related synonym: ligase inhibitors
in subset: 3 STAR

EC 6.4.* (C-C bond-forming ligase) inhibitor
type: Class
subclass of: EC 6.* (ligase) inhibitor
IAO_0000115: A ligase inhibitor that interferes with the action of a C-C bond-forming ligase (EC 6.4.*.*).
has related synonym: C--C bond-forming ligase inhibitor
has related synonym: C--C bond-forming ligase inhibitors
has related synonym: C-C bond-forming ligase (EC 6.4.*) inhibitor
has related synonym: C-C bond-forming ligase (EC 6.4.*) inhibitorS
has related synonym: C-C bond-forming ligase inhibitor
has related synonym: C-C bond-forming ligase inhibitors
id: CHEBI:75604
has related synonym: EC 6.4.* (C-C bond-forming ligase) inhibitorS
has related synonym: EC 6.4.* inhibitor
has related synonym: EC 6.4.* inhibitors
has related synonym: EC 6.4.*.* inhibitor
has related synonym: EC 6.4.*.* inhibitors
has OBO namespace: chebi_ontology
in subset: 3 STAR

N-nicotinoylglycine
type: Class
subclass of: N-acylglycine
charge: 0
monoisotopicmass: 180.053
mass: 180.16070
IAO_0000115: An N-acylglycine having nicotinoyl as the acyl substituent.
has db xref: Beilstein:8859
formula: C8H8N2O3
has db xref: CAS:583-08-4
id: CHEBI:7563
has db xref: HMDB:HMDB0003269
inchi: InChI=1S/C8H8N2O3/c11-7(12)5-10-8(13)6-2-1-3-9-4-6/h1-4H,5H2,(H,10,13)(H,11,12)
has db xref: KEGG:C05380
has related synonym: N-(Pyridin-3-ylcarbonyl)glycine
has related synonym: N-Nicotinylglycine
has related synonym: Nicotinoylglycine
has related synonym: Nicotinurate
has related synonym: Nicotinuric acid
has related synonym: Nicotinylglycine
smiles: OC(=O)CNC(=O)c1cccnc1
has db xref: PMID:14745162
has db xref: PMID:15620531
has db xref: PMID:16193536
has db xref: PMID:20853461
has db xref: PMID:22770225
has db xref: PMID:3243933
has db xref: PMID:699281
has db xref: PMID:7866544
has db xref: Reaxys:8859
inchikey: ZBSGKPYXQINNGF-UHFFFAOYSA-N
has OBO namespace: chebi_ontology
in subset: 3 STAR

eukaryotic metabolite
type: Class
subclass of: metabolite
IAO_0000115: Any metabolite produced during a metabolic reaction in eukaryotes, the taxon that include members of the fungi, plantae and animalia kingdoms.
id: CHEBI:75763
has OBO namespace: chebi_ontology
has related synonym: eukaryotic metabolites
in subset: 3 STAR

animal metabolite
type: Class
subclass of: eukaryotic metabolite
IAO_0000115: Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals.
id: CHEBI:75767
has alternative id: CHEBI:77721
has alternative id: CHEBI:77743
has related synonym: animal metabolites
has OBO namespace: chebi_ontology
in subset: 3 STAR

mammalian metabolite
type: Class
subclass of: animal metabolite
IAO_0000115: Any animal metabolite produced during a metabolic reaction in mammals.
id: CHEBI:75768
has alternative id: CHEBI:77464
has alternative id: CHEBI:77744
has OBO namespace: chebi_ontology
has related synonym: mammalian metabolites
in subset: 3 STAR

B vitamin
type: Class
subclass of: water-soluble vitamin
subclass of: nutraceutical
IAO_0000115: Any of the group of eight water-soluble vitamins originally thought to be a single compound (vitamin B) that play important roles in cell metabolism. The group comprises vitamin B1, B2, B3, B5, B6, B7, B9, and B12. (Around 20 other compounds were once thought to be B vitamins but are no longer classified as such.)
has related synonym: B vitamins
has related synonym: B-group vitamin
has related synonym: B-group vitamins
id: CHEBI:75769
has db xref: PMID:22743781
has db xref: PMID:23093174
has db xref: PMID:23238962
has db xref: PMID:23449527
has db xref: PMID:23462586
has db xref: PMID:23690582
has db xref: Wikipedia:B_vitamin
has OBO namespace: chebi_ontology
has related synonym: vitamin B
in subset: 3 STAR

mouse metabolite
type: Class
subclass of: mammalian metabolite
IAO_0000115: Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
id: CHEBI:75771
has related synonym: Mus musculus metabolite
has related synonym: Mus musculus metabolites
has OBO namespace: chebi_ontology
has related synonym: mouse metabolites
in subset: 3 STAR

Saccharomyces cerevisiae metabolite
type: Class
subclass of: fungal metabolite
IAO_0000115: Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae).
id: CHEBI:75772
has alternative id: CHEBI:76949
has alternative id: CHEBI:76951
has related synonym: S. cerevisiae metabolite
has related synonym: S. cerevisiae metabolites
has related synonym: S. cerevisiae secondary metabolite
has related synonym: S. cerevisiae secondary metabolites
has related synonym: Saccharomyces cerevisiae metabolites
has related synonym: Saccharomyces cerevisiae secondary metabolites
has related synonym: baker's yeast metabolite
has related synonym: baker's yeast metabolites
has related synonym: baker's yeast secondary metabolite
has related synonym: baker's yeast secondary metabolites
has OBO namespace: chebi_ontology
in subset: 3 STAR

prokaryotic metabolite
type: Class
subclass of: metabolite
IAO_0000115: Any metabolite produced during a metabolic reaction in prokaryotes, the taxon that include members of domains such as the bacteria and archaea.
id: CHEBI:75787
has OBO namespace: chebi_ontology
has related synonym: prokaryotic metabolites
in subset: 3 STAR

aromatic amino-acid zwitterion
type: Class
subclass of: amino acid zwitterion
charge: 0
monoisotopicmass: 74.024
IAO_0000115: An amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of any aromatic amino-acid.
formula: C2H4NO2R
id: CHEBI:76042
has db xref: MetaCyc:Aromatic-Amino-Acids
smiles: [NH3+]C([*])C([O-])=O
has related synonym: an aromatic amino-acid
has related synonym: aromatic amino-acid zwitterions
has OBO namespace: chebi_ontology
in subset: 3 STAR

xenobiotic metabolite
type: Class
subclass of: metabolite
IAO_0000115: Any metabolite produced by metabolism of a xenobiotic compound.
id: CHEBI:76206
has OBO namespace: chebi_ontology
has related synonym: xenobiotic metabolites
in subset: 3 STAR

greenhouse gas
type: Class
subclass of: chemical role
IAO_0000115: A gas in an atmosphere that absorbs and emits radiation within the thermal infrared range, so contributing to the 'greenhouse effect'.
id: CHEBI:76413
has db xref: Wikipedia:Greenhouse_gas
has OBO namespace: chebi_ontology
has related synonym: greenhouse gases
in subset: 3 STAR

propellant
type: Class
subclass of: application
IAO_0000115: A compressed gas or liquid with a boiling point lower than room temperature which to used to propel and dispense liquids such as deodorants, insecticides, paints, etc. from aerosol cans.
id: CHEBI:76414
has db xref: PMID:22519407
has db xref: PMID:24001847
has OBO namespace: chebi_ontology
has related synonym: propellants
in subset: 3 STAR

marine metabolite
type: Class
subclass of: metabolite
IAO_0000115: Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
id: CHEBI:76507
has alternative id: CHEBI:77078
has OBO namespace: chebi_ontology
has related synonym: marine metabolites
in subset: 3 STAR

omega-methyl fatty acid anion
type: Class
subclass of: fatty acid anion
charge: -1
monoisotopicmass: 59.013
IAO_0000115: A fatty acid anion obtained by deprotonation of the carboxy group of any omega-methyl fatty acid; major species at pH 7.3.
formula: C2H3O2R
id: CHEBI:76619
smiles: C[*]C([O-])=O
has related synonym: an omega-methyl fatty acid
has OBO namespace: chebi_ontology
in subset: 3 STAR

EC 2.1.* (C1-transferase) inhibitor
type: Class
subclass of: EC 2.* (transferase) inhibitor
IAO_0000115: A transferase inhibitor inhibiting the action of transferase of a one-carbon-containing group (EC 2.1.*.*).
has related synonym: C1-transferase (EC 2.1.*) inhibitor
has related synonym: C1-transferase (EC 2.1.*) inhibitors
has related synonym: C1-transferase inhibitor
has related synonym: C1-transferase inhibitors
id: CHEBI:76655
has related synonym: EC 2.1.* (C1-transferase) inhibitors
has related synonym: EC 2.1.* inhibitor
has related synonym: EC 2.1.* inhibitors
has OBO namespace: chebi_ontology
has related synonym: one-carbon-containing group transferase inhibitor
has related synonym: one-carbon-containing group transferase inhibitors
in subset: 3 STAR

EC 2.7.* (P-containing group transferase) inhibitor
type: Class
subclass of: EC 2.* (transferase) inhibitor
IAO_0000115: A transferase inhibitor that inhibits the action of a phosphorus-containing group transferase (EC 2.7.*.*).
id: CHEBI:76668
has related synonym: EC 2.7.* (P-containing group transferase) inhibitors
has related synonym: EC 2.7.* (phosphorus-containing group transferase) inhibitor
has related synonym: EC 2.7.* (phosphorus-containing group transferase) inhibitors
has related synonym: EC 2.7.* inhibitor
has related synonym: EC 2.7.* inhibitors
has OBO namespace: chebi_ontology
has related synonym: phosphorus-containing group transferase (EC 2.7.*) inhibitor
has related synonym: phosphorus-containing group transferase (EC 2.7.*) inhibitors
has related synonym: phosphorus-containing group transferase inhibitor
has related synonym: phosphorus-containing group transferase inhibitors
in subset: 3 STAR

EC 4.* (lyase) inhibitor
type: Class
subclass of: enzyme inhibitor
IAO_0000115: An enzyme inhibitor which interferes with the action of a lyase (EC 4.*.*.*). Lyases are enzymes cleaving C-C, C-O, C-N and other bonds by other means than by hydrolysis or oxidation.
id: CHEBI:76710
has related synonym: EC 4.* (lyase) inhibitors
has related synonym: EC 4.* inhibitor
has related synonym: EC 4.* inhibitors
has related synonym: EC 4.*.*.* inhibitor
has related synonym: EC 4.*.*.* inhibitors
has db xref: Wikipedia:Lyase
has OBO namespace: chebi_ontology
has related synonym: lyase (EC 4.*) inhibitor
has related synonym: lyase (EC 4.*) inhibitorS
has related synonym: lyase inhibitor
has related synonym: lyase inhibitors
in subset: 3 STAR

EC 4.3.* (C-N lyase) inhibitor
type: Class
subclass of: EC 4.* (lyase) inhibitor
IAO_0000115: A lyase inhibitor which inhibits the action of a C-N lyase (EC 4.3.*.*).
has related synonym: C-N lyase (EC 4.3.*) inhibitor
has related synonym: C-N lyase (EC 4.3.*) inhibitors
has related synonym: C-N lyase inhibitor
has related synonym: C-N lyase inhibitors
id: CHEBI:76713
has related synonym: EC 4.3.* (C-N lyase) inhibitors
has related synonym: EC 4.3.* inhibitor
has related synonym: EC 4.3.* inhibitors
has OBO namespace: chebi_ontology
in subset: 3 STAR

EC 1.* (oxidoreductase) inhibitor
type: Class
subclass of: enzyme inhibitor
IAO_0000115: An enzyme inhibitor which interferes with the action of an oxidoreductase (EC 1.*.*.*).
id: CHEBI:76725
has related synonym: EC 1.* (oxidoreductase) inhibitors
has related synonym: EC 1.* inhibitor
has related synonym: EC 1.* inhibitors
has db xref: Wikipedia:Oxidoreductase
has OBO namespace: chebi_ontology
has related synonym: oxidoreductase (EC 1.*) inhibitor
has related synonym: oxidoreductase (EC 1.*) inhibitors
has related synonym: oxidoreductase inhibitor
has related synonym: oxidoreductase inhibitors
in subset: 3 STAR

EC 1.1.* (oxidoreductase acting on donor CH-OH group) inhibitor
type: Class
subclass of: EC 1.* (oxidoreductase) inhibitor
IAO_0000115: An oxidoreductase inhibitor which interferes with the action of an oxidoreductase acting on the CH-OH group of donors (EC 1.1.*.*).
id: CHEBI:76726
has related synonym: EC 1.1.* (oxidoreductase acting on donor CH-OH group) inhibitors
has related synonym: EC 1.1.* inhibitor
has related synonym: EC 1.1.* inhibitors
has OBO namespace: chebi_ontology
has related synonym: inhibitor of oxidoreductase acting on CH-OH group of donor
has related synonym: inhibitor of oxidoreductase acting on CH-OH group of donors
has related synonym: inhibitors of oxidoreductase acting on CH-OH group of donor
has related synonym: inhibitors of oxidoreductase acting on CH-OH group of donors
has related synonym: oxidoreductase acting on donor CH-OH group (EC 1.1.*) inhibitor
has related synonym: oxidoreductase acting on donor CH-OH group (EC 1.1.*) inhibitors
has related synonym: oxidoreductase acting on donor CH-OH group inhibitor
has related synonym: oxidoreductase acting on donor CH-OH group inhibitors
in subset: 3 STAR

EC 3.* (hydrolase) inhibitor
type: Class
subclass of: enzyme inhibitor
IAO_0000115: Any enzyme inhibitor that interferes with the action of a hydrolase (EC 3.*.*.*).
id: CHEBI:76759
has related synonym: EC 3.* (hydrolase) inhibitors
has related synonym: EC 3.* inhibitor
has related synonym: EC 3.* inhibitors
has related synonym: EC 3.*.*.* inhibitor
has related synonym: EC 3.*.*.* inhibitors
has db xref: Wikipedia:Hydrolase
has OBO namespace: chebi_ontology
has related synonym: hydrolase (EC 3.*) inhibitor
has related synonym: hydrolase (EC 3.*) inhibitors
has related synonym: hydrolase inhibitor
has related synonym: hydrolase inhibitors
in subset: 3 STAR

EC 3.1.* (ester hydrolase) inhibitor
type: Class
subclass of: EC 3.* (hydrolase) inhibitor
IAO_0000115: A hydrolase inhibitor that interferes with the action of any ester hydrolase (EC 3.1.*.*).
id: CHEBI:76760
has related synonym: EC 3.1.* (ester hydrolase) inhibitors
has related synonym: EC 3.1.* inhibitor
has related synonym: EC 3.1.* inhibitors
has OBO namespace: chebi_ontology
has related synonym: ester hydrolase (EC 3.1.*) inhibitor
has related synonym: ester hydrolase (EC 3.1.*) inhibitors
has related synonym: ester hydrolase inhibitor
has related synonym: ester hydrolase inhibitors
in subset: 3 STAR

EC 3.2.* (glycosylase) inhibitor
type: Class
subclass of: EC 3.* (hydrolase) inhibitor
IAO_0000115: A hydrolase inhibitor that interferes with the action of any glycosylase (EC 3.2.*.*).
id: CHEBI:76761
has related synonym: EC 3.2.* (glycosylase) inhibitors
has related synonym: EC 3.2.* inhibitor
has related synonym: EC 3.2.* inhibitors
has OBO namespace: chebi_ontology
has related synonym: glycosylase (EC 3.2.*) inhibitor
has related synonym: glycosylase (EC 3.2.*) inhibitors
has related synonym: glycosylase inhibitor
has related synonym: glycosylase inhibitors
in subset: 3 STAR

EC 3.5.* (hydrolases acting on non-peptide C-N bonds) inhibitor
type: Class
subclass of: EC 3.* (hydrolase) inhibitor
IAO_0000115: Any hydrolase inhibitor that interferes with the action of a hydrolase acting on C-N bonds, other than peptide bonds (EC 3.5.*.*).
id: CHEBI:76764
has related synonym: EC 3.5.* (hydrolase acting on non-peptide C-N bond) inhibitor
has related synonym: EC 3.5.* (hydrolase acting on non-peptide C-N bond) inhibitors
has related synonym: EC 3.5.* (hydrolases acting on C-N bonds, other than peptide bonds) inhibitor
has related synonym: EC 3.5.* (hydrolases acting on C-N bonds, other than peptide bonds) inhibitors
has related synonym: EC 3.5.* (hydrolases acting on non-peptide C-N bonds) inhibitors
has related synonym: EC 3.5.* inhibitor
has related synonym: EC 3.5.* inhibitors
has OBO namespace: chebi_ontology
in subset: 3 STAR

EC 3.1.1.* (carboxylic ester hydrolase) inhibitor
type: Class
subclass of: EC 3.1.* (ester hydrolase) inhibitor
IAO_0000115: An EC 3.1.* (ester hydrolase) inhibitor that interferes with the action of a carboxylic ester hydrolase (EC 3.1.1.*).
id: CHEBI:76773
has related synonym: EC 3.1.1.* (carboxylic ester hydrolase) inhibitors
has related synonym: EC 3.1.1.* inhibitor
has related synonym: EC 3.1.1.* inhibitors
has related synonym: carboxylic ester hydrolase (EC 3.1.1.*) inhibitor
has related synonym: carboxylic ester hydrolase (EC 3.1.1.*) inhibitors
has OBO namespace: chebi_ontology
in subset: 3 STAR

EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
type: Class
subclass of: EC 3.4.21.* (serine endopeptidase) inhibitor
IAO_0000115: Any EC 3.4.21.* (serine endopeptidase) inhibitor that interferes with the action of prolyl oligopeptidase (EC 3.4.21.26).
id: CHEBI:76779
has related synonym: EC 3.4.21.26 (prolyl oligopeptidase) inhibitors
has related synonym: EC 3.4.21.26 inhibitor
has related synonym: EC 3.4.21.26 inhibitors
has OBO namespace: chebi_ontology
has related synonym: endoprolylpeptidase inhibitor
has related synonym: endoprolylpeptidase inhibitors
has related synonym: post-proline cleaving enzyme inhibitor
has related synonym: post-proline cleaving enzyme inhibitors
has related synonym: post-proline endopeptidase inhibitor
has related synonym: post-proline endopeptidase inhibitors
has related synonym: proline endopeptidase inhibitor
has related synonym: proline endopeptidase inhibitors
has related synonym: proline-specific endopeptidase inhibitor
has related synonym: proline-specific endopeptidase inhibitors
has related synonym: prolyl endopeptidase inhibitor
has related synonym: prolyl endopeptidase inhibitors
has related synonym: prolyl oligopeptidase (EC 3.4.21.26) inhibitor
has related synonym: prolyl oligopeptidase (EC 3.4.21.26) inhibitors
has related synonym: prolyl oligopeptidase inhibitor
in subset: 3 STAR

EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor
type: Class
subclass of: EC 3.5.* (hydrolases acting on non-peptide C-N bonds) inhibitor
IAO_0000115: An EC 3.5.* (hydrolases acting on non-peptide C-N bonds) inhibitor that interferes with the action of any non-peptide linear amide C-N hydrolase (EC 3.5.1.*).
id: CHEBI:76807
has related synonym: EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitors
has related synonym: EC 3.5.1.* inhibitor
has related synonym: EC 3.5.1.* inhibitors
has OBO namespace: chebi_ontology
has related synonym: non-peptide linear amide C-N hydrolase (EC 3.5.1.*) inhibitor
has related synonym: non-peptide linear amide C-N hydrolase (EC 3.5.1.*) inhibitors
in subset: 3 STAR

EC 2.7.11.* (protein-serine/threonine kinase) inhibitor
type: Class
subclass of: protein kinase inhibitor
subclass of: EC 2.7.* (P-containing group transferase) inhibitor
IAO_0000115: An EC 2.7.* (P-containing group transferase) inhibitor that interferes with the action of any protein-serine/threonine kinase (EC 2.7.11.*).
id: CHEBI:76812
has related synonym: EC 2.7.11.* (protein-serine/threonine kinase) inhibitors
has related synonym: EC 2.7.11.* inhibitor
has related synonym: EC 2.7.11.* inhibitors
has OBO namespace: chebi_ontology
has related synonym: protein-serine/threonine kinase (EC 2.7.11.*) inhibitor
has related synonym: protein-serine/threonine kinase (EC 2.7.11.*) inhibitors
has related synonym: protein-serine/threonine kinase inhibitor
has related synonym: protein-serine/threonine kinase inhibitors
in subset: 3 STAR

EC 2.7.7.* (nucleotidyltransferase) inhibitor
type: Class
subclass of: EC 2.7.* (P-containing group transferase) inhibitor
IAO_0000115: An EC 2.7.* (P-containing group transferase) inhibitor that interferes with the action of any nucleotidyltransferase (EC 2.7.7.*).
id: CHEBI:76815
has related synonym: EC 2.7.7.* (nucleotidyltransferase) inhibitors
has OBO namespace: chebi_ontology
has related synonym: inhibitor of nucleotidyltransferases
has related synonym: inhibitor of nucleotidyltransferases (EC 2.7.7.*)
has related synonym: inhibitors of nucleotidyltransferases
has related synonym: inhibitors of nucleotidyltransferases (EC 2.7.7.*)
has related synonym: nucleotidyltransferase (EC 2.7.7.*) inhibitor
has related synonym: nucleotidyltransferase (EC 2.7.7.*) inhibitors
has related synonym: nucleotidyltransferase inhibitor
has related synonym: nucleotidyltransferase inhibitors
in subset: 3 STAR

EC 6.3.1.* (acid-ammonia/amine ligase) inhibitor
type: Class
subclass of: EC 6.3.* (C-N bond-forming ligase) inhibitor
IAO_0000115: An EC 6.3.* (C-N bond-forming ligase) inhibitor that interferes with the action of any acid-ammonia (or amine) ligase (EC 6.3.1.*).
id: CHEBI:76823
has related synonym: EC 6.3.1.* (acid-ammonia/amine ligase) inhibitors
has related synonym: EC 6.3.1.* inhibitor
has related synonym: EC 6.3.1.* inhibitors
has related synonym: acid-ammonia (or amine) ligase inhibitor
has related synonym: acid-ammonia (or amine) ligase inhibitors
has OBO namespace: chebi_ontology
in subset: 3 STAR

EC 6.4.1.* (carboxylase) inhibitor
type: Class
subclass of: EC 6.4.* (C-C bond-forming ligase) inhibitor
IAO_0000115: An EC 6.4.* (C-C bond-forming ligase) inhibitor that interferes with the action of a carboxylating enzyme (EC 6.4.1.*).
id: CHEBI:76824
has related synonym: EC 6.4.1.* (C-C bond forming ligase) inhibitor
has related synonym: EC 6.4.1.* (C-C bond forming ligase) inhibitors
has related synonym: EC 6.4.1.* (C-C bond-forming ligase) inhibitors
has related synonym: EC 6.4.1.* (carboxylase) inhibitors
has related synonym: EC 6.4.1.* inhibitor
has related synonym: EC 6.4.1.* inhibitors
has OBO namespace: chebi_ontology
has related synonym: inhibitor of ligases forming C-C bonds
has related synonym: inhibitor of ligases forming C-C bonds (EC 6.4.1.*)
has related synonym: inhibitors of ligases forming C-C bonds
has related synonym: inhibitors of ligases forming C-C bonds (EC 6.4.1.*)
in subset: 3 STAR

EC 4.3.1.* (ammonia-lyase) inhibitor
type: Class
subclass of: EC 4.3.* (C-N lyase) inhibitor
IAO_0000115: An EC 4.3.* (C-N lyase) inhibitor that interferes with the action of any ammonia-lyase (EC 4.3.1.*).
id: CHEBI:76832
has related synonym: EC 4.3.1.* (ammonia-lyase) inhibitors
has related synonym: EC 4.3.1.* (ammonia-lyases) inhibitor
has related synonym: EC 4.3.1.* (ammonia-lyases) inhibitors
has related synonym: EC 4.3.1.* inhibitor
has related synonym: EC 4.3.1.* inhibitors
has related synonym: ammonia-lyase (EC 4.3.1.*) inhibitor
has related synonym: ammonia-lyase (EC 4.3.1.*) inhibitors
has related synonym: ammonia-lyase inhibitor
has related synonym: ammonia-lyase inhibitors
has OBO namespace: chebi_ontology
in subset: 3 STAR

EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor
type: Class
subclass of: EC 1.1.* (oxidoreductase acting on donor CH-OH group) inhibitor
IAO_0000115: An EC 1.1.* (oxidoreductase acting on donor CH-OH group) inhibitor that uses NAD(+) or NADP(+) as acceptor (EC 1.1.1.*).
id: CHEBI:76835
has related synonym: EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+)acceptor) inhibitors
has related synonym: EC 1.1.1.* inhibitor
has related synonym: EC 1.1.1.* inhibitors
has OBO namespace: chebi_ontology
has related synonym: oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor (EC 1.1.1.*) inhibitor
has related synonym: oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor (EC 1.1.1.*) inhibitors
in subset: 3 STAR

EC 2.1.2.* (hydroxymethyl-, formyl- and related transferases) inhibitor
type: Class
subclass of: EC 2.1.* (C1-transferase) inhibitor
IAO_0000115: An EC 2.1.* (C1-transferase) inhibitor that interferes with the action of any hydroxymethyl-, formyl- and related transferase (EC 2.1.2.*).
id: CHEBI:76874
has related synonym: EC 2.1.2.* (hydroxymethyl-, formyl- and related transferases) inhibitors
has related synonym: EC 2.1.2.* inhibitor
has related synonym: EC 2.1.2.* inhibitors
has OBO namespace: chebi_ontology
has related synonym: hydroxymethyl-, formyl- and related transferases (EC 2.1.2.*) inhibitor
has related synonym: hydroxymethyl-, formyl- and related transferases (EC 2.1.2.*) inhibitors
in subset: 3 STAR

plant metabolite
type: Class
subclass of: eukaryotic metabolite
IAO_0000115: Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
has alternative id: CHEBI:75766
id: CHEBI:76924
has alternative id: CHEBI:76925
has OBO namespace: chebi_ontology
has related synonym: plant metabolites
has related synonym: plant secondary metabolites
in subset: 3 STAR

2,3-saturated fatty acid(1-)
type: Class
subclass of: fatty acid anion
subclass of: 2-saturated fatty acid anion
charge: -1
has related synonym: 2,3-saturated fatty acid
monoisotopicmass: 72.021
IAO_0000115: A fatty acid anion obtained by deprotonation of the carboxy group of any 2,3-saturated fatty acid.
formula: C3H4O2R
id: CHEBI:76928
smiles: [O-]C(=O)CC[*]
has OBO namespace: chebi_ontology
in subset: 3 STAR

2,3-saturated fatty acid
type: Class
subclass of: fatty acid
charge: 0
monoisotopicmass: 73.029
IAO_0000115: Any fatty acid in which the first two carbons of the chain attached to the carboxy group are saturated and unbranched.
formula: C3H5O2R
id: CHEBI:76929
smiles: OC(=O)CC[*]
has OBO namespace: chebi_ontology
in subset: 3 STAR

pathway inhibitor
type: Class
subclass of: enzyme inhibitor
IAO_0000115: An enzyme inhibitor that interferes with one or more steps in a metabolic pathway.
id: CHEBI:76932
has OBO namespace: chebi_ontology
has related synonym: metabolic pathway inhibitor
has related synonym: metabolic pathway inhibitors
has related synonym: pathway inhibitors
in subset: 3 STAR

fungal metabolite
type: Class
subclass of: eukaryotic metabolite
IAO_0000115: Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
has alternative id: CHEBI:75765
id: CHEBI:76946
has alternative id: CHEBI:76947
has OBO namespace: chebi_ontology
has related synonym: fungal metabolites
in subset: 3 STAR

Aspergillus metabolite
type: Class
subclass of: fungal metabolite
IAO_0000115: Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus.
has related synonym: Aspergillus metabolites
has alternative id: CHEBI:75864
id: CHEBI:76956
has alternative id: CHEBI:76958
has OBO namespace: chebi_ontology
in subset: 3 STAR

human xenobiotic metabolite
type: Class
subclass of: xenobiotic metabolite
subclass of: human metabolite
IAO_0000115: Any human metabolite produced by metabolism of a xenobiotic compound in humans.
id: CHEBI:76967
has OBO namespace: chebi_ontology
has related synonym: human xenobiotic metabolites
in subset: 3 STAR

bacterial metabolite
type: Class
subclass of: prokaryotic metabolite
IAO_0000115: Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
has alternative id: CHEBI:75760
id: CHEBI:76969
has alternative id: CHEBI:76970
has OBO namespace: chebi_ontology
in subset: 3 STAR

Escherichia coli metabolite
type: Class
subclass of: bacterial metabolite
IAO_0000115: Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
id: CHEBI:76971
has related synonym: E.coli metabolite
has related synonym: E.coli metabolites
has related synonym: Escherichia coli metabolites
has OBO namespace: chebi_ontology
in subset: 3 STAR

xenoestrogen
type: Class
subclass of: endocrine disruptor
subclass of: estrogen
IAO_0000115: A synthetic or semi-synthetic compound that has oestrogenic activity.
id: CHEBI:76988
has db xref: Wikipedia:Xenoestrogen
has OBO namespace: chebi_ontology
has related synonym: xenoestrogens
in subset: 3 STAR

EC 1.1.1.189 (prostaglandin-E2 9-reductase) inhibitor
type: Class
subclass of: EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor
has related synonym: (5Z,13E)-(15S)-9alpha,11alpha,15-trihydroxyprosta-5,13-dienoate:NADP(+) 9-oxidoreductase inhibitor
has related synonym: (5Z,13E)-(15S)-9alpha,11alpha,15-trihydroxyprosta-5,13-dienoate:NADP(+) 9-oxidoreductase inhibitors
has related synonym: 9-keto-prostaglandin E2 reductase inhibitor
has related synonym: 9-keto-prostaglandin E2 reductase inhibitors
has related synonym: 9-ketoprostaglandin reductase inhibitor
has related synonym: 9-ketoprostaglandin reductase inhibitors
IAO_0000115: An EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor that interferes with the action of prostaglandin-E2 9-reductase (EC 1.1.1.189).
id: CHEBI:77119
has related synonym: EC 1.1.1.189 (prostaglandin-E2 9-reductase) inhibitors
has related synonym: EC 1.1.1.189 inhibitor
has related synonym: EC 1.1.1.189 inhibitors
has related synonym: PGE-9-ketoreductase inhibitor
has related synonym: PGE-9-ketoreductase inhibitors
has related synonym: PGE2 9-oxoreductase inhibitor
has related synonym: PGE2 9-oxoreductase inhibitors
has related synonym: PGE2-9-OR inhibitor
has related synonym: PGE2-9-OR inhibitors
has related synonym: PGE2-9-ketoreductase inhibitor
has related synonym: PGE2-9-ketoreductase inhibitors
has db xref: Wikipedia:Prostaglandin-E2_9-reductase
has OBO namespace: chebi_ontology
has related synonym: prostaglandin 9-ketoreductase inhibitor
has related synonym: prostaglandin 9-ketoreductase inhibitors
has related synonym: prostaglandin E 9-ketoreductase inhibitor
has related synonym: prostaglandin E 9-ketoreductase inhibitors
has related synonym: prostaglandin E2-9-oxoreductase inhibitor
has related synonym: prostaglandin E2-9-oxoreductase inhibitors
has related synonym: prostaglandin-E2 9-reductase (EC 1.1.1.189) inhibitor
has related synonym: prostaglandin-E2 9-reductase (EC 1.1.1.189) inhibitors
has related synonym: reductase, 15-hydroxy-9-oxoprostaglandin inhibitor
has related synonym: reductase, 15-hydroxy-9-oxoprostaglandin inhibitors
in subset: 3 STAR

food colouring
type: Class
subclass of: food additive
IAO_0000115: A food additive that imparts colour to food. In European countries, E-numbers for permitted food colours are from E 100 to E 199, divided into yellows (E 100-109), oranges (E 110-119), reds (E 120-129), blues and violets (E 130-139), greens (E 140-149), browns and blacks (E 150-159), and others (E 160-199).
id: CHEBI:77182
has db xref: Wikipedia:Food_coloring
has OBO namespace: chebi_ontology
has related synonym: food coloring
has related synonym: food colorings
has related synonym: food colourings
in subset: 3 STAR

dicarboxylic acid monoamide(1-)
type: Class
subclass of: monocarboxylic acid anion
charge: -1
monoisotopicmass: 88.003
IAO_0000115: A monocarboxylic acid anion obtained by deprotonation of the carboxy group of any dicarboxylic acid monoamide; major species at pH 7.3.
formula: C2H2NO3R
id: CHEBI:77450
has db xref: MetaCyc:dicarboxylic acid monoamide
smiles: NC(=O)[*]C([O-])=O
has related synonym: a monoamide of a dicarboxylate
has OBO namespace: chebi_ontology
in subset: 3 STAR

EC 4.3.1.3 (histidine ammonia-lyase) inhibitor
type: Class
subclass of: EC 4.3.1.* (ammonia-lyase) inhibitor
IAO_0000115: An EC 4.3.1.* (ammonia-lyase) inhibitor that interferes with the action of histidine ammonia-lyase (EC 4.3.1.3).
id: CHEBI:77703
has related synonym: EC 4.3.1.3 (histidine ammonia-lyase) inhibitors
has related synonym: EC 4.3.1.3 inhibitor
has related synonym: EC 4.3.1.3 inhibitors
has related synonym: L-histidine ammonia-lyase (urocanate-forming) inhibitor
has related synonym: L-histidine ammonia-lyase (urocanate-forming) inhibitors
has related synonym: L-histidine ammonia-lyase inhibitor
has related synonym: L-histidine ammonia-lyase inhibitors
has db xref: Wikipedia:Histidine_ammonia-lyase
has OBO namespace: chebi_ontology
has related synonym: histidase inhibitor
has related synonym: histidase inhibitors
has related synonym: histidinase inhibitor
has related synonym: histidinase inhibitors
has related synonym: histidine alpha-deaminase inhibitor
has related synonym: histidine alpha-deaminase inhibitors
has related synonym: histidine ammonia-lyase (EC 4.3.1.3) inhibitor
has related synonym: histidine ammonia-lyase (EC 4.3.1.3) inhibitors
has related synonym: histidine ammonia-lyase inhibitor
has related synonym: histidine ammonia-lyase inhibitors
in subset: 3 STAR

human metabolite
type: Class
subclass of: mammalian metabolite
IAO_0000115: Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
has alternative id: CHEBI:75770
has alternative id: CHEBI:77123
id: CHEBI:77746
has related synonym: H. sapiens metabolite
has related synonym: H. sapiens metabolites
has related synonym: Homo sapiens metabolite
has related synonym: Homo sapiens metabolites
has OBO namespace: chebi_ontology
in subset: 3 STAR

EC 3.5.1.4 (amidase) inhibitor
type: Class
subclass of: EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor
IAO_0000115: An EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor that interferes with the action of amidase (EC 3.5.1.4).
id: CHEBI:77941
has related synonym: EC 3.5.1.4 (amidase) inhibitors
has related synonym: EC 3.5.1.4 inhibitor
has related synonym: EC 3.5.1.4 inhibitors
has related synonym: N-acetylaminohydrolase inhibitor
has related synonym: N-acetylaminohydrolase inhibitors
has db xref: Wikipedia:Amidase
has related synonym: acylamidase inhibitor
has related synonym: acylamidase inhibitors
has related synonym: acylamide amidohydrolase inhibitor
has related synonym: acylamide amidohydrolase inhibitors
has related synonym: amidase (EC 3.5.1.4) inhibitor
has related synonym: amidase (EC 3.5.1.4) inhibitors
has related synonym: amidase inhibitor
has related synonym: amidase inhibitors
has related synonym: amidohydrolase inhibitor
has related synonym: amidohydrolase inhibitors
has OBO namespace: chebi_ontology
has related synonym: deaminase inhibitor
has related synonym: deaminase inhibitors
has related synonym: fatty acylamidase inhibitor
has related synonym: fatty acylamidase inhibitors
in subset: 3 STAR

L-erythro-sphingosine(1+)
type: Class
subclass of: cationic sphingoid
has exact synonym: (2R,3S,4E)-1,3-dihydroxyoctadec-4-en-2-aminium
charge: +1
monoisotopicmass: 300.290
mass: 300.49930
IAO_0000115: A cationic sphingoid resulting from the protonation of the amino group of L-erythro-sphingosine; major species at pH 7.3.
formula: C18H38NO2
smiles: CCCCCCCCCCCCC\C=C\[C@H](O)[C@H]([NH3+])CO
id: CHEBI:77956
has related synonym: D-erythro-sphing-4-enine
inchi: InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3/p+1/b15-14+/t17-,18+/m1/s1
has related synonym: L-erythro-sphing-4-enine(1+)
has db xref: PMID:12783875
has db xref: PMID:632688
inchikey: WWUZIQQURGPMPG-MCXRAWCPSA-O
has OBO namespace: chebi_ontology
in subset: 3 STAR

food firming agent
type: Class
subclass of: food additive
IAO_0000115: A food additive that is used to make or keep fruit or vegetable tissues firm and crisp. or which interacts with gelling agents such as pectin to produce or strengthen a gel.
id: CHEBI:77960
has db xref: Wikipedia:Firming_agent
has OBO namespace: chebi_ontology
has related synonym: firming agent
has related synonym: firming agents
has related synonym: food firming agents
in subset: 3 STAR

food antioxidant
type: Class
subclass of: antioxidant
subclass of: food preservative
IAO_0000115: An antioxidant that used as a food additives to help guard against food deterioration.
id: CHEBI:77962
has OBO namespace: chebi_ontology
has related synonym: food antioxidants
in subset: 3 STAR

humectant
type: Class
subclass of: application
IAO_0000115: A compound that is used to keep a substance moist.
id: CHEBI:77968
has db xref: Wikipedia:humectant
has OBO namespace: chebi_ontology
has related synonym: humectants
in subset: 3 STAR

food humectant
type: Class
subclass of: food additive
subclass of: humectant
IAO_0000115: A humectant that is used as a food additive to prevent foodstuffs from drying out.
id: CHEBI:77969
has OBO namespace: chebi_ontology
has related synonym: food humectants
in subset: 3 STAR

food packaging gas
type: Class
subclass of: food additive
IAO_0000115: A food additive that is a (generally inert) gas which is used to envelop foodstuffs during packing and so protect them from unwanted chemical reactions such as food spoilage or oxidation during subsequent transport and storage. The term includes propellant gases, used to expel foods from a container.
id: CHEBI:77974
has db xref: Wikipedia:Packaging_gas
has OBO namespace: chebi_ontology
has related synonym: food packaging gases
in subset: 3 STAR

food propellant
type: Class
subclass of: food additive
subclass of: propellant
IAO_0000115: A propellant that is used to expel foods from an aerosol container.
id: CHEBI:78017
has OBO namespace: chebi_ontology
has related synonym: food propellants
in subset: 3 STAR

CHEBI 7805
type: Class
deprecated: true
IAO_0100001: CHEBI_472805
IAO_0000231: IAO_0000227

fatty acid anion 3:0
type: Class
subclass of: short-chain fatty acid anion
subclass of: saturated fatty acid anion
charge: -1
monoisotopicmass: 73.029
mass: 73.07060
IAO_0000115: Any saturated fatty acid anion containing 3 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3.
formula: C3H5O2
id: CHEBI:78113
smiles: [O-]C([*])=O
has OBO namespace: chebi_ontology
has related synonym: fatty acid 3:0
in subset: 3 STAR

fatty acid anion 4:0
type: Class
subclass of: short-chain fatty acid anion
subclass of: saturated fatty acid anion
charge: -1
monoisotopicmass: 87.045
mass: 87.09718
IAO_0000115: Any saturated fatty acid anion containing 4 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3.
formula: C4H7O2
id: CHEBI:78115
smiles: [O-]C([*])=O
has OBO namespace: chebi_ontology
has related synonym: fatty acid 4:0
in subset: 3 STAR

fatty acid anion 6:0
type: Class
subclass of: saturated fatty acid anion
subclass of: medium-chain fatty acid anion
charge: -1
monoisotopicmass: 115.076
mass: 115.15034
IAO_0000115: Any saturated fatty acid anion containing 6 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3.
formula: C6H11O2
id: CHEBI:78116
smiles: [O-]C([*])=O
has OBO namespace: chebi_ontology
has related synonym: fatty acid 6:0
in subset: 3 STAR

fatty acid anion 14:0
type: Class
subclass of: saturated fatty acid anion
charge: -1
monoisotopicmass: 227.201
mass: 227.36298
IAO_0000115: Any saturated fatty acid anion containing 14 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3.
formula: C14H27O2
id: CHEBI:78121
smiles: [O-]C([*])=O
has OBO namespace: chebi_ontology
has related synonym: fatty acid 14:0
in subset: 3 STAR

fatty acid anion 16:0
type: Class
subclass of: saturated fatty acid anion
charge: -1
monoisotopicmass: 255.232
mass: 255.41610
IAO_0000115: Any saturated fatty acid anion containing 16 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3.
formula: C16H31O2
id: CHEBI:78123
smiles: [O-]C([*])=O
has OBO namespace: chebi_ontology
has related synonym: fatty acid 16:0
in subset: 3 STAR

food component
type: Class
subclass of: physiological role
IAO_0000115: Any substance that is distributed in foodstuffs. It includes materials derived from plants or animals, such as vitamins or minerals, as well as environmental contaminants.
id: CHEBI:78295
has OBO namespace: chebi_ontology
has related synonym: dietary component
has related synonym: dietary components
has related synonym: food components
in subset: 3 STAR

environmental contaminant
type: Class
subclass of: chemical role
IAO_0000115: Any minor or unwanted substance introduced into the environment that can have undesired effects.
id: CHEBI:78298
has OBO namespace: chebi_ontology
has related synonym: environmental contaminants
in subset: 3 STAR

2-hydroxypropanoic acid
type: Class
subclass of: 2-hydroxy monocarboxylic acid
charge: 0
has exact synonym: 2-Hydroxypropanoic acid
has related synonym: 2-Hydroxypropionic acid
has exact synonym: 2-hydroxypropanoic acid
monoisotopicmass: 90.032
mass: 90.07790
IAO_0000115: A 2-hydroxy monocarboxylic acid that is propanoic acid in which one of the alpha-hydrogens is replaced by a hydroxy group.
formula: C3H6O3
has db xref: CAS:50-21-5
smiles: CC(O)C(O)=O
id: CHEBI:78320
inchi: InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)
inchikey: JVTAAEKCZFNVCJ-UHFFFAOYSA-N
has db xref: KEGG:C01432
has db xref: KEGG:D00111
has related synonym: Lactic acid
has OBO namespace: chebi_ontology
in subset: 3 STAR

refrigerant
type: Class
subclass of: application
IAO_0000115: A substance used in a thermodynamic heat pump cycle or refrigeration cycle that undergoes a phase change from a gas to a liquid and back. Refrigerants are used in air-conditioning systems and freezers or refrigerators and are assigned a "R" number (by ASHRAE - formerly the American Society of Heating, Refrigerating and Air Conditioning Engineers), which is determined systematically according to their molecular structure.
id: CHEBI:78433
has db xref: Wikipedia:Refrigerant
has OBO namespace: chebi_ontology
has related synonym: refrigerants
in subset: 3 STAR

EC 3.1.1.1 (carboxylesterase) inhibitor
type: Class
subclass of: EC 3.1.1.* (carboxylic ester hydrolase) inhibitor
has related synonym: Alpha-carboxylesterase inhibitor
has related synonym: Alpha-carboxylesterase inhibitors
IAO_0000115: Any EC 3.1.1.* (carboxylic ester hydrolase) inhibitor that inhibits the action of carboxylesterase (EC 3.1.1.1 ).
has related synonym: Beta-esterase inhibitor
has related synonym: Beta-esterase inhibitors
id: CHEBI:78444
has related synonym: EC 3.1.1.1 (carboxylesterase) inhibitors
has related synonym: ali-esterase inhibitor
has related synonym: ali-esterase inhibitors
has related synonym: butyrate esterase inhibitor
has related synonym: butyrate esterase inhibitors
has related synonym: butyryl esterase inhibitor
has related synonym: butyryl esterase inhibitors
has related synonym: carboxyl ester hydrolase inhibitor
has related synonym: carboxyl ester hydrolase inhibitors
has related synonym: carboxylate esterase inhibitor
has related synonym: carboxylate esterase inhibitors
has related synonym: carboxylesterase inhibitor
has related synonym: carboxylesterase inhibitors
has related synonym: carboxylic acid esterase inhibitor
has related synonym: carboxylic acid esterase inhibitors
has related synonym: carboxylic esterase inhibitor
has related synonym: carboxylic esterase inhibitors
has related synonym: carboxylic-ester hydrolase inhibitor
has related synonym: carboxylic-ester hydrolase inhibitors
has OBO namespace: chebi_ontology
has related synonym: cocaine esterase inhibitor
has related synonym: cocaine esterase inhibitors
has related synonym: esterase A inhibitor
has related synonym: esterase A inhibitors
has related synonym: esterase B inhibitor
has related synonym: esterase B inhibitors
has related synonym: esterase D inhibitor
has related synonym: esterase D inhibitors
has related synonym: methylbutyrase inhibitor
has related synonym: methylbutyrase inhibitors
has related synonym: methylbutyrate esterase inhibitor
has related synonym: methylbutyrate esterase inhibitors
has related synonym: monobutyrase inhibitor
has related synonym: monobutyrase inhibitors
has related synonym: nonspecific carboxylesterase inhibitor
has related synonym: nonspecific carboxylesterase inhibitors
has related synonym: procaine esterase inhibitor
has related synonym: procaine esterase inhibitors
has related synonym: propionyl esterase inhibitor
has related synonym: propionyl esterase inhibitors
has related synonym: serine esterase inhibitor
has related synonym: serine esterase inhibitors
has related synonym: triacetin esterase inhibitor
has related synonym: triacetin esterase inhibitors
has related synonym: vitamin A esterase inhibitor
has related synonym: vitamin A esterase inhibitors
in subset: 3 STAR

pyrimidinecarboxylic acid
type: Class
subclass of: carboxylic acid
subclass of: pyrimidines
IAO_0000115: Any pyrimidine that bears one or more carboxylic acid substituents.
id: CHEBI:78574
has OBO namespace: chebi_ontology
has related synonym: pyrimidinecarboxylic acids
in subset: 3 STAR

alpha-amino acid zwitterion
type: Class
subclass of: amino acid zwitterion
charge: 0
monoisotopicmass: 74.024
IAO_0000115: An amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of any alpha-amino acid; major species at pH 7.3.
formula: C2H4NO2R
id: CHEBI:78608
has alternative id: CHEBI:83409
has db xref: MetaCyc:Alpha-Amino-Acids
smiles: [NH3+]C([*])C([O-])=O
has related synonym: an alpha-amino acid
has OBO namespace: chebi_ontology
in subset: 3 STAR

carbohydrates and carbohydrate derivatives
type: Class
subclass of: organooxygen compound
IAO_0000115: Any organooxygen compound that is a polyhydroxy-aldehyde or -ketone, or a compound derived from one. Carbohydrates contain only carbon, hydrogen and oxygen and usually have an empirical formula Cm(H2O)n; carbohydrate derivatives may contain other elements by substitution or condensation.
id: CHEBI:78616
has related synonym: carbohydrates and derivatives
has related synonym: carbohydrates and their derivatives
has OBO namespace: chebi_ontology
in subset: 3 STAR

chroman-6-ol
type: Class
subclass of: chromanol
subclass of: phenols
charge: 0
monoisotopicmass: 150.068
mass: 150.17450
has exact synonym: 3,4-dihydro-2H-chromen-6-ol
has related synonym: 3,4-dihydrobenzopyran-6-ol
IAO_0000115: A chromanol that is chromane in which the hydrogen at position 6 is replaced by a hydroxy group.
formula: C9H10O2
id: CHEBI:78631
inchikey: GZCJJOLJSBCUNR-UHFFFAOYSA-N
inchi: InChI=1S/C9H10O2/c10-8-3-4-9-7(6-8)2-1-5-11-9/h3-4,6,10H,1-2,5H2
smiles: Oc1ccc2OCCCc2c1
has db xref: Reaxys:1283166
has OBO namespace: chebi_ontology
in subset: 3 STAR

fundamental metabolite
type: Class
subclass of: metabolite
IAO_0000115: Any metabolite produced by all living cells.
id: CHEBI:78675
has OBO namespace: chebi_ontology
has related synonym: essential metabolite
has related synonym: essential metabolites
has related synonym: fundamental metabolites
in subset: 3 STAR

olefinic compound
type: Class
subclass of: organic molecular entity
IAO_0000115: Any organic molecular entity that contains at least one C=C bond.
id: CHEBI:78840
has OBO namespace: chebi_ontology
has related synonym: olefinic compounds
in subset: 3 STAR

(omega-1)-hydroxy fatty acid
type: Class
subclass of: hydroxy fatty acid
subclass of: secondary alcohol
has related synonym: (omega-1)-hydroxy fatty acids
IAO_0000115: A hydroxy fatty acid that is a straight-chain fatty acid in which one of the hydrogens attached to the carbon adjacent to the terminal methyl group (i.e. at the (omega-1) position) is replaced by a hydroxy group.
id: CHEBI:78954
has OBO namespace: chebi_ontology
in subset: 3 STAR

hexadecanoate
type: Class
subclass of: long-chain fatty acid anion
subclass of: omega-methyl fatty acid anion
subclass of: fatty acid anion 16:0
subclass of: 2-saturated fatty acid anion
has related synonym: (16:0)
charge: -1
has related synonym: 1-hexyldecanoate
has related synonym: 1-pentadecanecarboxylate
monoisotopicmass: 255.232
mass: 255.41610
IAO_0000115: A long-chain fatty acid anion that is the conjugate base of hexadecanoic acid (palmitic acid); major species at pH 7.3.
has db xref: Beilstein:3589907
formula: C16H31O2
has db xref: CAS:143-20-4
smiles: CCCCCCCCCCCCCCCC([O-])=O
has related synonym: CH3-[CH2]14-COO(-)
has alternative id: CHEBI:231736
id: CHEBI:7896
has db xref: Gmelin:344266
has db xref: HMDB:HMDB0000220
has related synonym: Hexadecanoic acid, ion(1-)
inchikey: IPCSVZSSVZVIGE-UHFFFAOYSA-M
inchi: InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)/p-1
has db xref: MetaCyc:PALMITATE
has db xref: Reaxys:3589907
has OBO namespace: chebi_ontology
has exact synonym: hexadecanoate
has related synonym: n-hexadecanoate
has related synonym: n-hexadecoate
has related synonym: palmitate
has related synonym: pentadecanecarboxylate
in subset: 3 STAR

(R)-nicotinium(1+)
type: Class
subclass of: organic cation
subclass of: ammonium ion
has exact synonym: (2R)-1-methyl-2-(pyridin-3-yl)pyrrolidinium
has related synonym: (R)-nicotine
charge: +1
monoisotopicmass: 163.124
mass: 163.23900
formula: C10H15N2
id: CHEBI:79008
smiles: C[NH+]1CCC[C@@H]1c1cccnc1
inchi: InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/p+1/t10-/m1/s1
has db xref: MetaCyc:R-NICOTINE
inchikey: SNICXCGAKADSCV-SNVBAGLBSA-O
IAO_0000115: The conjugate acid of (R)-nicotine arising from selective protonation of the tertiary amino group; major species at pH 7.3.
has OBO namespace: chebi_ontology
in subset: 3 STAR

alpha,beta-unsaturated monocarboxylic acid
type: Class
subclass of: monocarboxylic acid
has related synonym: 2,3-unsaturated monocarboxylic acid
has related synonym: 2,3-unsaturated monocarboxylic acids
IAO_0000115: A monocarboxylic acid in which the carbon of the carboxy group is directly attached to a C=C or C#C bond.
id: CHEBI:79020
has related synonym: alpha,beta-unsaturated monocarboxylic acids
has OBO namespace: chebi_ontology
in subset: 3 STAR

molybdenum cofactor(3-)
type: Class
subclass of: organic anionic group
charge: -3
mass: 551.33000
monoisotopicmass: 552.848
IAO_0000115: An organic anionic group derived from molybdenum cofactor(3-). It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
formula: C10H10MoN5O8PS3
id: CHEBI:79026
smiles: Nc1nc2N[C@@H]3O[C@H](COP([O-])([O-])=O)C4=C(S[Mo]([O-])(=O)(S-*)S4)[C@@H]3Nc2c(=O)[nH]1
has OBO namespace: chebi_ontology
has related synonym: molybdenum cofactor
in subset: 3 STAR

trivalent inorganic anion
type: Class
subclass of: inorganic anion
IAO_0000115: Any inorganic anion with a valency of three.
id: CHEBI:79387
has OBO namespace: chebi_ontology
has related synonym: trivalent inorganic anions
in subset: 3 STAR

divalent inorganic anion
type: Class
subclass of: inorganic anion
IAO_0000115: Any inorganic anion with a valency of two.
id: CHEBI:79388
has OBO namespace: chebi_ontology
has related synonym: divalent inorganic anions
in subset: 3 STAR

monovalent inorganic anion
type: Class
subclass of: inorganic anion
IAO_0000115: Any inorganic anion with a valency of one.
id: CHEBI:79389
has OBO namespace: chebi_ontology
has related synonym: monovalent inorganic anions
in subset: 3 STAR

Gonadotropin-releasing hormone II
type: Class
subclass of: organic molecular entity
id: CHEBI:80298
has related synonym: GnRH-II
has related synonym: Gonadoliberin-II
has db xref: KEGG:C16084
has OBO namespace: chebi_ontology
in subset: 2 STAR

thyroid stimulating hormone
type: Class
subclass of: glycoprotein
has alternative id: CHEBI:138153
id: CHEBI:81567
has OBO namespace: chebi_ontology
in subset: 3 STAR

Luteinizing hormone
type: Class
subclass of: organic molecular entity
has db xref: CAS:9002-67-9
id: CHEBI:81568
has related synonym: ICSH
has related synonym: Interstitial cell stimulating hormone
has db xref: KEGG:C18183
has related synonym: LH
has OBO namespace: chebi_ontology
in subset: 2 STAR

Follicle stimulating hormone
type: Class
subclass of: organic molecular entity
has db xref: CAS:9002-68-0
id: CHEBI:81569
has related synonym: FSH
has related synonym: Follitropin
has db xref: KEGG:C18184
has OBO namespace: chebi_ontology
in subset: 2 STAR

elemental iron
type: Class
subclass of: iron molecular entity
subclass of: elemental molecular entity
IAO_0000115: An elemental molecular entity in which all of the atoms have atomic number 26.
id: CHEBI:82663
has OBO namespace: chebi_ontology
in subset: 3 STAR

monounsaturated fatty acid anion
type: Class
subclass of: unsaturated fatty acid anion
subclass of: organic molecular entity
charge: -1
IAO_0000115: Any unsaturated fatty acid anion with one double or triple bond in the fatty acid chain.
id: CHEBI:82680
smiles: [O-]C([*])=O
has OBO namespace: chebi_ontology
has related synonym: monounsaturated fatty acid anions
in subset: 3 STAR

aliphatic aldoxime
type: Class
subclass of: aldoxime
charge: 0
monoisotopicmass: 44.014
mass: 44.03270
IAO_0000115: Any aldoxime derived from an aliphatic aldehyde.
formula: CH2NOR
id: CHEBI:82744
has db xref: MetaCyc:Aliphatic-Aldoximes
smiles: ON=C[*]
has related synonym: an aliphatic aldoxime
has OBO namespace: chebi_ontology
in subset: 3 STAR

sphingosine-based sphingolipid
type: Class
subclass of: sphingolipid
charge: 0
monoisotopicmass: 325.262
IAO_0000115: A family of sphingolipids that share a common structural feature, a sphingosine base backbone.
formula: C19H35NO3R2
id: CHEBI:82830
has related synonym: Sphing-4-enine-based sphingolipid
has OBO namespace: chebi_ontology
in subset: 3 STAR

Daphnia galeata metabolite
type: Class
subclass of: Daphnia metabolite
IAO_0000115: A Daphnia metabolite produced by the species Daphnia galeata.
id: CHEBI:83038
has related synonym: Daphnia galeata metabolites
has OBO namespace: chebi_ontology
in subset: 3 STAR

crustacean metabolite
type: Class
subclass of: animal metabolite
IAO_0000115: An animal metabolite produced by arthropods such as crabs, lobsters, crayfish, shrimps and krill.
id: CHEBI:83039
has OBO namespace: chebi_ontology
has related synonym: crustacean metabolites
in subset: 3 STAR

Daphnia magna metabolite
type: Class
subclass of: Daphnia metabolite
IAO_0000115: A Daphnia metabolite produced by the species Daphnia magna.
id: CHEBI:83056
has related synonym: Daphnia magna metabolites
has OBO namespace: chebi_ontology
in subset: 3 STAR

Daphnia metabolite
type: Class
subclass of: crustacean metabolite
IAO_0000115: A crustacean metabolite produced by the genus of small planktonic arthropods, Daphnia
id: CHEBI:83057
has related synonym: Daphnia metabolites
has db xref: Wikipedia:Daphnia
has OBO namespace: chebi_ontology
in subset: 3 STAR

organosulfonic ester
type: Class
subclass of: sulfur oxoacid derivative
subclass of: ester
charge: 0
monoisotopicmass: 79.957
mass: 80.06300
IAO_0000115: An ester resulting from the formal condensation of the hydroxy group of an alcohol, phenol, heteroarenol, or enol with an organosulfonic acid.
id: CHEBI:83347
formula: O3SR2
smiles: [*]S(=O)(=O)O[*]
has OBO namespace: chebi_ontology
has related synonym: organosulfonate ester
has related synonym: organosulfonate esters
has related synonym: organosulfonic esters
in subset: 3 STAR

porphyrin
type: Class
subclass of: porphyrins
subclass of: tetrapyrrole fundamental parent
charge: 0
has related synonym: 21H,23H-Porphin
has related synonym: 21H,23H-porphine
monoisotopicmass: 310.122
mass: 310.35200
has db xref: Beilstein:1222991
has db xref: Beilstein:36080
has db xref: Beilstein:622855
formula: C20H14N4
has db xref: CAS:101-60-0
id: CHEBI:8337
has db xref: Gmelin:205920
has db xref: HMDB:HMDB0000839
inchi: InChI=1S/C20H14N4/c1-2-14-10-16-5-6-18(23-16)12-20-8-7-19(24-20)11-17-4-3-15(22-17)9-13(1)21-14/h1-12,21,24H/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-
has db xref: KEGG:C05113
has db xref: PMID:22735334
has exact synonym: Porphyrin
inchikey: RKCAIXNGYQCCAL-CEVVSZFKSA-N
has db xref: Reaxys:1160988
has db xref: Wikipedia:Porphyrin
has OBO namespace: chebi_ontology
has related synonym: porphine
has exact synonym: porphyrin
in subset: 3 STAR

marine xenobiotic metabolite
type: Class
subclass of: xenobiotic metabolite
subclass of: marine metabolite
IAO_0000115: Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms.
id: CHEBI:83399
has OBO namespace: chebi_ontology
has related synonym: marine xenobiotic metabolites
in subset: 3 STAR

(trifluoromethyl)benzenes
type: Class
subclass of: benzenes
subclass of: organofluorine compound
subclass of: Restriction
  on property: has part
  some values from: trifluoromethyl group
IAO_0000115: An organofluorine compound that is (trifluoromethyl)benzene and derivatives arising from substitution of one or more of the phenyl hydrogens.
id: CHEBI:83565
has OBO namespace: chebi_ontology
in subset: 3 STAR

proteinogenic amino acid derivative
type: Class
subclass of: amino acid derivative
IAO_0000115: Any derivative of a proteinogenic amino acid resulting from reaction at an amino group, carboxy group, or a side-chain functional group, or from the replacement of any hydrogen by a heteroatom.
id: CHEBI:83811
has related synonym: canonical amino acid derivative
has related synonym: canonical amino acid derivatives
has related synonym: canonical amino-acid derivative
has related synonym: canonical amino-acid derivatives
has OBO namespace: chebi_ontology
has related synonym: proteinogenic amino acid derivatives
has related synonym: proteinogenic amino-acid derivative
has related synonym: proteinogenic amino-acid derivatives
in subset: 3 STAR

non-proteinogenic amino acid derivative
type: Class
subclass of: amino acid derivative
IAO_0000115: Any derivative of a non-proteinogenic amino acid resulting from reaction at an amino group or carboxy group, or from the replacement of any hydrogen by a heteroatom.
id: CHEBI:83812
has OBO namespace: chebi_ontology
has related synonym: non-canonical amino acid derivative
has related synonym: non-canonical amino-acid derivatives
has related synonym: non-proteinogenic amino-acid derivatives
in subset: 3 STAR

proteinogenic amino acid
type: Class
subclass of: carboxylic acid
subclass of: organonitrogen compound
IAO_0000115: Any of the 23 alpha-amino acids that are precursors to proteins, and are incorporated into proteins during translation. The group includes the 20 amino acids encoded by the nuclear genes of eukaryotes together with selenocysteine, pyrrolysine, and N-formylmethionine. Apart from glycine, which is non-chiral, all have L configuration.
id: CHEBI:83813
has db xref: Wikipedia:Proteinogenic_amino_acid
has related synonym: canonical amino acid
has related synonym: canonical amino acids
has OBO namespace: chebi_ontology
has related synonym: proteinogenic amino acids
in subset: 3 STAR

non-proteinogenic amino acid
type: Class
subclass of: amino acid
IAO_0000115: Any amino-acid that is not naturally encoded in the genetic code of any organism.
id: CHEBI:83820
has db xref: Wikipedia:Non-proteinogenic_amino_acids
has OBO namespace: chebi_ontology
has related synonym: non-canonical amino acid
has related synonym: non-canonical amino acids
has related synonym: non-canonical amino-acid
has related synonym: non-canonical amino-acids
has related synonym: non-coded amino acid
has related synonym: non-coded amino acids
has related synonym: non-coded amino-acid
has related synonym: non-coded amino-acids
has related synonym: non-proteinogenic amino acids
has related synonym: non-proteinogenic amino-acid
has related synonym: non-proteinogenic amino-acids
in subset: 3 STAR

amino acid derivative
type: Class
subclass of: organonitrogen compound
IAO_0000115: Any derivative of an amino acid resulting from reaction at an amino group, carboxy group, side-chain functional group, or from the replacement of any hydrogen by a heteroatom. The definition normally excludes peptides containing amino acid residues.
has alternative id: CHEBI:25359
id: CHEBI:83821
has related synonym: amino acid derivatives
has OBO namespace: chebi_ontology
has related synonym: modified amino acids
in subset: 3 STAR

non-proteinogenic L-alpha-amino acid
type: Class
subclass of: L-alpha-amino acid
subclass of: non-proteinogenic alpha-amino acid
IAO_0000115: Any L-alpha-amino acid which is not a member of the group of 23 proteinogenic amino acids.
id: CHEBI:83822
has OBO namespace: chebi_ontology
has related synonym: non-proteinogenic L-alpha-amino acids
in subset: 3 STAR

L-cysteine derivative
type: Class
subclass of: cysteine derivative
subclass of: proteinogenic amino acid derivative
IAO_0000115: A proteinogenic amino acid derivative resulting from the formal reaction of L-cysteine at the amino group, carboxy group, or thiol group, or from the replacement of any hydrogen of L-cysteine by a heteroatom.
id: CHEBI:83824
has related synonym: L-cysteine derivatives
has OBO namespace: chebi_ontology
in subset: 3 STAR

pregnane
type: Class
subclass of: steroid fundamental parent
charge: 0
monoisotopicmass: 288.282
mass: 288.51054
formula: C21H36
has db xref: CAS:481-26-5
id: CHEBI:8386
inchi: InChI=1S/C21H36/c1-4-15-9-11-18-17-10-8-16-7-5-6-13-20(16,2)19(17)12-14-21(15,18)3/h15-19H,4-14H2,1-3H3/t15-,16?,17-,18-,19-,20-,21+/m0/s1
inchikey: JWMFYGXQPXQEEM-WZBAXQLOSA-N
has db xref: KEGG:C01523
has OBO namespace: chebi_ontology
has exact synonym: pregnane
in subset: 3 STAR

cationic sphingoid
type: Class
subclass of: organic cation
subclass of: ammonium ion
IAO_0000115: An organic cation obtained by protonation of the amino function of any sphingoid
id: CHEBI:83876
has related synonym: cationic sphingoids
has OBO namespace: chebi_ontology
has related synonym: sphingoid cation
has related synonym: sphingoid cations
in subset: 3 STAR

non-proteinogenic alpha-amino acid
type: Class
subclass of: alpha-amino acid
subclass of: non-proteinogenic amino acid
IAO_0000115: Any alpha-amino acid which is not a member of the group of 23 proteinogenic amino acids.
id: CHEBI:83925
has OBO namespace: chebi_ontology
has related synonym: non-proteinogenic alpha-amino acids
has related synonym: non-proteinogenic alpha-amino-acid
has related synonym: non-proteinogenic alpha-amino-acids
in subset: 3 STAR

2-saturated fatty acid anion
type: Class
subclass of: fatty acid anion
charge: -1
has related synonym: 1,2-saturated fatty acid
has related synonym: 1,2-saturated fatty acid anion
monoisotopicmass: 58.005
IAO_0000115: A fatty acid anion obtained by deprotonation of the carboxy group of any 2-saturated fatty acid.
formula: C2H2O2R
id: CHEBI:83955
smiles: [O-]C(=O)C[*]
has OBO namespace: chebi_ontology
in subset: 3 STAR

3-methyl fatty acid anion
type: Class
subclass of: methyl-branched fatty acid anion
charge: -1
has related synonym: 3-methyl fatty acid
has related synonym: 3-methyl-branched fatty acid anion
has related synonym: 3-methyl-branched fatty acid(1-)
monoisotopicmass: 86.037
IAO_0000115: A methyl-branched fatty acid anion obtained by deprotonation of the carboxy group of any 3-methyl fatty acid; major species at pH 7.3.
formula: C4H6O2R
smiles: CC([*])CC([O-])=O
id: CHEBI:83972
has OBO namespace: chebi_ontology
in subset: 3 STAR

L-glutamic acid derivative
type: Class
subclass of: glutamic acid derivative
subclass of: proteinogenic amino acid derivative
IAO_0000115: A proteinogenic amino acid derivative resulting from reaction of L-glutamic acid at the amino group or either of the carboxy groups, or from the replacement of any hydrogen of L-glutamic acid by a heteroatom.
id: CHEBI:83982
has related synonym: L-glutamic acid derivatives
has OBO namespace: chebi_ontology
in subset: 3 STAR

pentose phosphate
type: Class
subclass of: phospho sugar
subclass of: pentose derivative
IAO_0000115: Any phospho sugar that is the phosphate derivative of pentose.
id: CHEBI:84055
has OBO namespace: chebi_ontology
has related synonym: pentose phosphates
in subset: 3 STAR

human urinary metabolite
type: Class
subclass of: human metabolite
IAO_0000115: Any metabolite (endogenous or exogenous) found in human urine samples.
id: CHEBI:84087
has OBO namespace: chebi_ontology
has related synonym: human urinary metabolites
in subset: 3 STAR

D-proline derivative
type: Class
subclass of: proline derivative
subclass of: non-proteinogenic amino acid derivative
IAO_0000115: A non-proteinogenic amino acid derivative resulting from reaction of D-proline at the amino group or the carboxy group, or from the replacement of any hydrogen of D-proline by a heteroatom.
id: CHEBI:84185
has related synonym: D-proline derivatives
has OBO namespace: chebi_ontology
in subset: 3 STAR

L-proline derivative
type: Class
subclass of: proline derivative
subclass of: proteinogenic amino acid derivative
IAO_0000115: A proteinogenic amino acid derivative resulting from reaction of L-proline at the amino group or the carboxy group, or from the replacement of any hydrogen of L-proline by a heteroatom.
id: CHEBI:84186
has related synonym: L-proline derivatives
has OBO namespace: chebi_ontology
in subset: 3 STAR

3-hydroxy fatty acid anion
type: Class
subclass of: hydroxy fatty acid anion
charge: -1
has related synonym: 3-hydroxy fatty acid
monoisotopicmass: 88.016
IAO_0000115: A hydroxy fatty acid anion obtained by deprotonation of the carboxy group of any 3-hydroxy fatty acid.
formula: C3H4O3R
id: CHEBI:84196
smiles: OC([*])CC([O-])=O
has OBO namespace: chebi_ontology
in subset: 3 STAR

sphingoid base(1+)
type: Class
subclass of: cationic sphingoid
charge: +1
has related synonym: 2-amino-1,3-dihydroxysphingoid base(1+)
monoisotopicmass: 91.063
mass: 91.10850
IAO_0000115: A cationic sphingoid obtained by protonation of the amino group of any 2-amino-1,3-dihydroxysphingoid base.
formula: C3H9NO2R
id: CHEBI:84410
smiles: [NH3+][C@@H](CO)[C@H](O)[*]
has related synonym: a sphingoid base
has OBO namespace: chebi_ontology
in subset: 3 STAR

(omega-1)-hydroxy fatty acid anion
type: Class
subclass of: hydroxy fatty acid anion
has related synonym: (omega-1)-hydroxy fatty acid
has exact synonym: (omega-1)-hydroxy fatty acid anion
charge: -1
monoisotopicmass: 89.024
IAO_0000115: A hydroxy fatty acid anion obtained by deprotonation of the carboxy group of any (omega-1)-hydroxy fatty acid; major species at pH 7.3.
formula: C3H5O3R
smiles: CC(O)[*]C([O-])=O
id: CHEBI:84497
has OBO namespace: chebi_ontology
in subset: 3 STAR

hydroxyindoles
type: Class
subclass of: indoles
subclass of: organic hydroxy compound
IAO_0000115: Any member of the class of indoles carrying at least one hydroxy group.
id: CHEBI:84729
has OBO namespace: chebi_ontology
in subset: 3 STAR

algal metabolite
type: Class
subclass of: eukaryotic metabolite
IAO_0000115: Any eukaryotic metabolite produced during a metabolic reaction in algae including unicellular organisms like chlorella and diatoms to multicellular organisms like giant kelps and brown algae.
id: CHEBI:84735
has related synonym: algal metabolites
has OBO namespace: chebi_ontology
in subset: 3 STAR

prostanoic acid
type: Class
subclass of: long-chain fatty acid
subclass of: saturated fatty acid
subclass of: carbocyclic fatty acid
charge: 0
monoisotopicmass: 310.287
mass: 310.51452
has exact synonym: 7-[(1S,2S)-2-octylcyclopentyl]heptanoic acid
IAO_0000115: A carbocyclic fatty acid composed of heptanoic acid having a (1S,2S)-2-octylcyclopentyl substituent at position 7.
has db xref: Beilstein:5744307
formula: C20H38O2
smiles: CCCCCCCC[C@H]1CCC[C@@H]1CCCCCCC(O)=O
id: CHEBI:8504
inchi: InChI=1S/C20H38O2/c1-2-3-4-5-6-9-13-18-15-12-16-19(18)14-10-7-8-11-17-20(21)22/h18-19H,2-17H2,1H3,(H,21,22)/t18-,19-/m0/s1
has db xref: KEGG:C02064
has db xref: LIPID_MAPS_instance:LMFA03010000
has db xref: PMID:6234649
has exact synonym: Prostanoic acid
has db xref: Reaxys:5744307
inchikey: WGJJROVFWIXTPA-OALUTQOASA-N
has OBO namespace: chebi_ontology
has exact synonym: prostan-1-oic acid
in subset: 3 STAR

skin lightening agent
type: Class
subclass of: cosmetic
IAO_0000115: Any cosmetic used to lighten the colour of skin by reducing the concentration of melanin.
id: CHEBI:85046
has db xref: PMID:21265866
has db xref: PMID:22132817
has db xref: PMID:22314516
has db xref: PMID:23891889
has db xref: PMID:23974587
has db xref: PMID:25535470
has db xref: PMID:25574195
has db xref: PMID:25643794
has db xref: Wikipedia:Skin_whitening
has OBO namespace: chebi_ontology
has related synonym: melanogenesis inhibitor
has related synonym: melanogenesis inhibitors
has related synonym: skin bleaching agent
has related synonym: skin bleaching agents
has related synonym: skin depigmenting agent
has related synonym: skin depigmenting agents
has related synonym: skin lightening agents
has related synonym: skin whitening agent
has related synonym: skin whitening agents
in subset: 3 STAR

sphingoid-1-phosphocholine(1+)
type: Class
subclass of: quaternary ammonium ion
charge: +1
monoisotopicmass: 256.119
IAO_0000115: A quaternary ammonium ion that is a deacylated sphingomyelin with undefined sphingoid base.
formula: C8H21N2O5PR
id: CHEBI:85171
smiles: C[N+](C)(C)CCOP([O-])(=O)OC[C@H]([NH3+])[C@H](O)[*]
has OBO namespace: chebi_ontology
has related synonym: sphingosylphosphocholine
has related synonym: sphingosylphosphocholine(1+)
in subset: 3 STAR

human blood serum metabolite
type: Class
subclass of: human metabolite
IAO_0000115: Any metabolite (endogenous or exogenous) found in human blood serum samples.
id: CHEBI:85234
has OBO namespace: chebi_ontology
has related synonym: human blood serum metabolites
in subset: 3 STAR

17beta-hydroxyandrostan-3-one
type: Class
subclass of: 17beta-hydroxy steroid
subclass of: 3-oxo steroid
has exact synonym: (17beta)-17-hydroxyandrostan-3-one
charge: 0
has related synonym: 17beta-hydroxyandrostanone
monoisotopicmass: 290.225
mass: 290.44030
IAO_0000115: A 17beta-hydroxy steroid that is testosterone in which the 4-5 double bond has been reduced to a single bond with unspecified configuration at position 5.
formula: C19H30O2
has db xref: CAS:29873-50-5
id: CHEBI:85278
inchi: InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12?,14-,15-,16-,17-,18-,19-/m0/s1
inchikey: NVKAWKQGWWIWPM-QHDNXLQLSA-N
has OBO namespace: chebi_ontology
has related synonym: dihydrotestosterone
in subset: 3 STAR

glycine transporter inhibitor
type: Class
subclass of: inhibitor
IAO_0000115: Any substance that inhibits the action of glycine transporters.
id: CHEBI:85425
has OBO namespace: chebi_ontology
has related synonym: glycine transporter inhibitors
in subset: 3 STAR

methyl sulfide
type: Class
subclass of: organic sulfide
charge: 0
monoisotopicmass: 46.996
IAO_0000115: Any aliphatic sulfide in which at least one of the organyl groups attached to the sulfur is a methyl group.
formula: CH3SR
has alternative id: CHEBI:25260
id: CHEBI:86315
smiles: CS[*]
has db xref: MetaCyc:Methyl-thioethers
has related synonym: a methyl thioether
has OBO namespace: chebi_ontology
has related synonym: methyl sulfides
has related synonym: methyl thioether
has related synonym: methyl thioethers
in subset: 3 STAR

antifungal drug
type: Class
subclass of: drug
subclass of: antiinfective agent
subclass of: antifungal agent
IAO_0000115: Any antifungal agent used to prevent or treat fungal infections in humans or animals.
id: CHEBI:86327
has db xref: Wikipedia:Antifungal
has related synonym: anti-fungal drug
has related synonym: anti-fungal drugs
has related synonym: anti-fungal medication
has related synonym: anti-fungal medications
has related synonym: antifungal drugs
has related synonym: antifungal medication
has related synonym: antifungal medications
has OBO namespace: chebi_ontology
has related synonym: pharmaceutical fungicide
has related synonym: pharmaceutical fungicides
in subset: 3 STAR

monohydroxyproline
type: Class
subclass of: hydroxy-amino acid
subclass of: proline derivative
mass: 131.12990
IAO_0000115: A hydroxy-amino acid in which the amino acid specified is proline. A "closed" class.
formula: C5H9NO3
id: CHEBI:86499
has OBO namespace: chebi_ontology
in subset: 3 STAR

N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
type: Class
subclass of: aromatic ether
subclass of: secondary amino compound
subclass of: (trifluoromethyl)benzenes
charge: 0
monoisotopicmass: 309.134
mass: 309.32610
IAO_0000115: An aromatic ether consisting of 4-trifluoromethylphenol in which the hydrogen of the phenolic hydroxy group is replaced by a 3-(methylamino)-1-phenylpropyl group.
formula: C17H18F3NO
id: CHEBI:86990
smiles: CNCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1
inchi: InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3
has db xref: LINCS:LSM-1449
has exact synonym: N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
inchikey: RTHCYVBBDHJXIQ-UHFFFAOYSA-N
has db xref: VSDB:1851
has OBO namespace: chebi_ontology
in subset: 3 STAR

(R)-fluoxetine
type: Class
subclass of: N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
has related synonym: (+)-fluoxetine
has exact synonym: (3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
has related synonym: (R)-(+)-fluoxetine
has related synonym: (R)-N-methyl-3-(4-trifluoromethylphenoxy)-3-phenylpropylamine
has related synonym: (R)-N-methyl-3-(4-trifluoromethylphenyloxy)-3-(phenyl)propylamine
has related synonym: (R)-N-methyl-3-phenyl-3-[(alpha,alpha,alpha-trifluoro-p-tolyl)oxy]propylamine
has related synonym: (R)-N-methyl-gamma-(4-trifluoromethylphenoxy)-3-phenylpropylamine
has related synonym: (R)-Prozac
charge: 0
monoisotopicmass: 309.134
mass: 309.32610
IAO_0000115: An N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine that has R configuration. [The antidepressant drug fluoxetine is a racemate comprising equimolar amounts of (R)- and (S)-fluoxetine].
formula: C17H18F3NO
has db xref: CAS:100568-03-4
id: CHEBI:86991
smiles: CNCC[C@@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1
inchi: InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3/t16-/m1/s1
has db xref: PMID:19144769
has db xref: PMID:19788198
has db xref: PMID:20663810
has db xref: PMID:22903652
has db xref: PMID:22923967
has db xref: PMID:23885544
has db xref: PMID:24464553
has db xref: PMID:24997906
inchikey: RTHCYVBBDHJXIQ-MRXNPFEDSA-N
has db xref: Reaxys:4356432
has OBO namespace: chebi_ontology
in subset: 3 STAR

(S)-fluoxetine
type: Class
subclass of: N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
has related synonym: (-)-fluoxetine
has exact synonym: (3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
has related synonym: (S)-(-)-fluoxetine
has related synonym: (S)-N-methyl-3-(4-trifluoromethylphenoxy)-3-phenylpropylamine
has related synonym: (S)-N-methyl-3-(4-trifluoromethylphenyloxy)-3-(phenyl)propylamine
has related synonym: (S)-N-methyl-3-phenyl-3-[(alpha,alpha,alpha-trifluoro-p-tolyl)oxy]propylamine
has related synonym: (S)-N-methyl-gamma-(4-trifluoromethylphenoxy)-3-phenylpropylamine
has related synonym: (S)-Prozac
charge: 0
monoisotopicmass: 309.134
mass: 309.32610
IAO_0000115: An N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine that has S configuration. [The antidepressant drug fluoxetine is a racemate comprising equimolar amounts of (R)- and (S)-fluoxetine].
formula: C17H18F3NO
id: CHEBI:86992
smiles: CNCC[C@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1
inchi: InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3/t16-/m0/s1
has db xref: PMID:19144769
has db xref: PMID:19788198
has db xref: PMID:20663810
has db xref: PMID:22903652
has db xref: PMID:22923967
has db xref: PMID:23885544
has db xref: PMID:24464553
has db xref: PMID:24997906
inchikey: RTHCYVBBDHJXIQ-INIZCTEOSA-N
has db xref: Reaxys:4356433
has OBO namespace: chebi_ontology
in subset: 3 STAR

(R)-fluoxetine(1+)
type: Class
subclass of: organic cation
subclass of: ammonium ion
has related synonym: (+)-fluoxetine(1+)
has exact synonym: (3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-aminium
charge: +1
monoisotopicmass: 310.142
mass: 310.33350
IAO_0000115: An organic cation resulting from the protonation of the amino group of (R)-fluoxetine.
formula: C17H19F3NO
id: CHEBI:86993
smiles: C[NH2+]CC[C@@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1
inchi: InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3/p+1/t16-/m1/s1
inchikey: RTHCYVBBDHJXIQ-MRXNPFEDSA-O
has db xref: Reaxys:25263171
has OBO namespace: chebi_ontology
in subset: 3 STAR

(S)-fluoxetine(1+)
type: Class
subclass of: organic cation
subclass of: ammonium ion
has related synonym: (-)-fluoxetine(1+)
has exact synonym: (3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-aminium
charge: +1
monoisotopicmass: 310.142
mass: 310.33350
IAO_0000115: An organic cation resulting from the protonation of the amino group of (S)-fluoxetine.
formula: C17H19F3NO
id: CHEBI:86995
smiles: C[NH2+]CC[C@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1
inchi: InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3/p+1/t16-/m0/s1
inchikey: RTHCYVBBDHJXIQ-INIZCTEOSA-O
has db xref: Reaxys:25263174
has OBO namespace: chebi_ontology
in subset: 3 STAR

ADP(2-)
type: Class
subclass of: organophosphate oxoanion
charge: -2
monoisotopicmass: 425.014
mass: 425.18630
IAO_0000115: An organophosphate oxoanion obtained by deprotonation of two of the three diphosphate OH groups of adenosine 5'-diphosphate.
formula: C10H13N5O10P2
id: CHEBI:87518
smiles: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OP(O)([O-])=O)[C@@H](O)[C@H]1O
has db xref: Reaxys:7558006
inchikey: XTWYTFMLZFPYCI-KQYNXXCUSA-L
has OBO namespace: chebi_ontology
in subset: 3 STAR

metal allergen
type: Class
subclass of: metal atom
IAO_0000115: Any metal which causes the onset of an allergic reaction.
id: CHEBI:88184
has related synonym: allergenic metal
has related synonym: allergenic metals
has OBO namespace: chebi_ontology
has related synonym: metal allergens
in subset: 3 STAR

drug allergen
type: Class
subclass of: drug
subclass of: allergen
IAO_0000115: Any drug which causes the onset of an allergic reaction.
id: CHEBI:88188
has related synonym: allergenic drug
has OBO namespace: chebi_ontology
in subset: 3 STAR

methylsuccinic acid
type: Class
subclass of: racemate
subclass of: Restriction
  on property: has part
  some values from: (S)-methylsuccinic acid
subclass of: Restriction
  on property: has part
  some values from: (R)-methylsuccinic acid
has related synonym: (+-)-methylsuccinic acid
has related synonym: (RS)-2-methylbutanedioic acid
has related synonym: (RS)-methylsuccinic acid
charge: 0
has related synonym: 1,2-Propanedicarboxylic acid
mass: 132.115
has related synonym: 2-methyl-butanedioic acid
has related synonym: 2-methylbutanedioic acid
IAO_0000115: A racemate comprising equimolar amounts of (R)- and (S)-methylsuccinic acid
formula: C5H8O4
has db xref: CAS:498-21-5
id: CHEBI:89843
has db xref: HMDB:HMDB0001844
has db xref: LIPID_MAPS_instance:LMFA01170119
has db xref: MetaCyc:CPD-2461
has related synonym: Methyl Succinic acid
has related synonym: Methylbutanedioic acid
has related synonym: Pyrotartaric acid
has db xref: Reaxys:1722946
has OBO namespace: chebi_ontology
has exact synonym: rac-2-methylbutanedioic acid
in subset: 3 STAR

EC 6.4.1.1 (pyruvate carboxylase) inhibitor
type: Class
subclass of: EC 6.4.1.* (carboxylase) inhibitor
IAO_0000115: An EC 6.4.1.* (carboxylase) inhibitor that interferes with the action of pyruvate carboxylase (EC 6.4.1.1).
id: CHEBI:90318
has related synonym: EC 6.4.1.1 (pyruvate carboxylase) inhibitors
has related synonym: EC 6.4.1.1 inhibitor
has related synonym: EC 6.4.1.1 inhibitors
has db xref: Wikipedia:Pyruvate_carboxylase
has OBO namespace: chebi_ontology
has related synonym: pyruvate carboxylase (EC 6.4.1.1) inhibitor
has related synonym: pyruvate carboxylase (EC 6.4.1.1) inhibitors
has related synonym: pyruvate carboxylase inhibitor
has related synonym: pyruvate carboxylase inhibitors
has related synonym: pyruvate:carbon-dioxide ligase (ADP-forming) inhibitor
has related synonym: pyruvate:carbon-dioxide ligase (ADP-forming) inhibitors
has related synonym: pyruvic carboxylase inhibitor
has related synonym: pyruvic carboxylase inhibitors
in subset: 3 STAR

retinoic acid receptor modulator
type: Class
subclass of: nuclear receptor modulator
IAO_0000115: A nuclear receptor modulator that affects the retinoic acid receptor
id: CHEBI:90708
has OBO namespace: chebi_ontology
has related synonym: retinoic acid receptor modulators
in subset: 3 STAR

nuclear receptor modulator
type: Class
subclass of: receptor modulator
IAO_0000115: Any receptor modulator acting on nuclear receptors
id: CHEBI:90709
has OBO namespace: chebi_ontology
has related synonym: nuclear receptor modulators
in subset: 3 STAR

receptor modulator
type: Class
subclass of: drug
IAO_0000115: A drug that acts as an antagonist, agonist, reverse agonist, or in some other fashion when interacting with cellular receptors.
id: CHEBI:90710
has OBO namespace: chebi_ontology
has related synonym: receptor modulators
in subset: 3 STAR

dipeptide zwitterion
type: Class
subclass of: peptide zwitterion
charge: 0
monoisotopicmass: 130.038
mass: 130.102
IAO_0000115: Any peptide zwitterion comprising two amino acid residues. Major structure at pH 7.3.
formula: C4H6N2O3R2
id: CHEBI:90799
smiles: [NH3+]C(C(NC(C([O-])=O)*)=O)*
has related synonym: a dipeptide
has OBO namespace: chebi_ontology
in subset: 3 STAR

aromatic carboxylate
type: Class
subclass of: carboxylic acid anion
smiles: *C([O-])=O
charge: -1
monoisotopicmass: 43.990
mass: 44.010
IAO_0000115: A carboxylic acic anion obtained by deprotonation of the carboxy group of any aromatic carboxylic acid. Major species at pH 7.3.
id: CHEBI:91007
formula: CO2R
has related synonym: an aromatic carboxylate
has OBO namespace: chebi_ontology
in subset: 3 STAR

2-methylbutanedioic acid
type: Class
subclass of: dicarboxylic acid
charge: 0
monoisotopicmass: 132.042
mass: 132.115
has exact synonym: 2-methylbutanedioic acid
IAO_0000115: A dicarboxylic acid that is butanedioic acid substituted at position 2 by a methyl group.
formula: C5H8O4
id: CHEBI:91315
inchi: InChI=1S/C5H8O4/c1-3(5(8)9)2-4(6)7/h3H,2H2,1H3,(H,6,7)(H,8,9)
smiles: OC(=O)C(CC(O)=O)C
inchikey: WXUAQHNMJWJLTG-UHFFFAOYSA-N
has OBO namespace: chebi_ontology
in subset: 3 STAR

(S)-methylsuccinic acid
type: Class
subclass of: 2-methylbutanedioic acid
has exact synonym: (2S)-2-methylbutanedioic acid
has related synonym: (S)-2-methylbutanedioic acid
charge: 0
monoisotopicmass: 132.042
mass: 132.115
IAO_0000115: A 2-methylbutanedioic acid in which the methyl group at position 2 has S-configuration.
formula: C5H8O4
id: CHEBI:91316
inchi: InChI=1S/C5H8O4/c1-3(5(8)9)2-4(6)7/h3H,2H2,1H3,(H,6,7)(H,8,9)/t3-/m0/s1
smiles: OC(=O)[C@H](CC(O)=O)C
has db xref: Reaxys:1722948
inchikey: WXUAQHNMJWJLTG-VKHMYHEASA-N
has OBO namespace: chebi_ontology
in subset: 3 STAR

(R)-methylsuccinic acid
type: Class
subclass of: 2-methylbutanedioic acid
has exact synonym: (2R)-2-methylbutanedioic acid
has related synonym: (R)-2-methylbutanedioic acid
charge: 0
monoisotopicmass: 132.042
mass: 132.115
IAO_0000115: A 2-methylbutanedioic acid in which the methyl group at position 2 has R-configuration.
formula: C5H8O4
has db xref: CAS:3641-51-8
id: CHEBI:91317
inchi: InChI=1S/C5H8O4/c1-3(5(8)9)2-4(6)7/h3H,2H2,1H3,(H,6,7)(H,8,9)/t3-/m1/s1
smiles: OC(=O)[C@@H](CC(O)=O)C
has db xref: Reaxys:1722947
inchikey: WXUAQHNMJWJLTG-GSVOUGTGSA-N
has OBO namespace: chebi_ontology
has related synonym: d-Methylsuccinic acid
in subset: 3 STAR

vasopressin
type: Class
subclass of: heterodetic cyclic peptide
subclass of: peptide hormone
IAO_0000115: A family of cyclic nonapeptide hormones found in most mammals. Synthesised in the hypothalamus and stored in the post-pituitary, vasopressins play a key role in homeostasis, particularly in regulating the body's water content. Together with the similar neuropeptide oxytocin, they are believed to influence social cognition and behaviour.
has related synonym: ADH
has related synonym: AVP
has related synonym: Antidiuretic hormone
formula: C46H65N15O12S2.C46H65N13O12S2
has db xref: CAS:11000-17-2
id: CHEBI:9937
has related synonym: Inyectable de vasopresina
has db xref: KEGG:C00840
has db xref: KEGG:D00101
has db xref: PMID:18988842
has db xref: PMID:20445498
has related synonym: Solute injectable de vasopressine
has related synonym: VP
has exact synonym: Vasopressin
has related synonym: Vasopressini injectio
has related synonym: arginine vasopressin
has related synonym: argipressin
has related synonym: beta-Hypophamine
has OBO namespace: chebi_ontology
in subset: 3 STAR

is conjugate acid of
has OBO namespace: chebi_ontology
is transitive: false
id: is_conjugate_acid_of
is cyclic: true

has parent hydride
has OBO namespace: chebi_ontology
is transitive: false
is cyclic: false
id: has_parent_hydride

is conjugate base of
has OBO namespace: chebi_ontology
is transitive: false
id: is_conjugate_base_of
is cyclic: true

is tautomer of
has OBO namespace: chebi_ontology
id: is_tautomer_of
is cyclic: true

is substituent group from
has OBO namespace: chebi_ontology
is transitive: false
is cyclic: false
id: is_substituent_group_from

has role
has db xref: RO:0000087
has OBO namespace: chebi_ontology
is cyclic: false
is transitive: false
id: has_role
shorthand: has_role

has functional parent
has OBO namespace: chebi_ontology
is transitive: false
is cyclic: false
id: has_functional_parent

is enantiomer of
has OBO namespace: chebi_ontology
is transitive: false
id: is_enantiomer_of
is cyclic: true