id,name,compound_type,form,synonyms,sequence_one_letter,sequence_three_letter,residue_count,n_terminus,c_terminus,other_modification,molecular_formula,average_mw,monoisotopic_mass,charge,pubchem_cid,cas,computed_formula,computed_average_mw,computed_monoisotopic_mass,pubchem_match,variants,related_pubchem_cids,source_pubchem_properties,source_pubchem_synonyms,source_pubchem_cas_section,source_pubchem_cas_lookup,source_sequence,vortex_links,notes
bpc-157,BPC-157,peptide,"free peptide, no counter-ion",BPC 157; Bpc157; Bepecin; PL-14736,GEPPPGKPADDAGLV,H-Gly-Glu-Pro-Pro-Pro-Gly-Lys-Pro-Ala-Asp-Asp-Ala-Gly-Leu-Val-OH,15,free amine (H-),free acid (-OH),,C62H98N16O22,1419.5,1418.70415882,0,9941957,137525-51-0,C62H98N16O22,1419.54,1418.7042,true,,,"https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/9941957/property/MolecularFormula,MolecularWeight,MonoisotopicMass,Charge,Title,IUPACName/JSON",https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/9941957/synonyms/JSON,https://pubchem.ncbi.nlm.nih.gov/rest/pug_view/data/compound/9941957/JSON?heading=CAS,https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/name/137525-51-0/cids/JSON,https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/9941957/synonyms/JSON,https://vortexresearch.net/blog/what-is-bpc-157/; https://vortexresearch.net/blog/bpc-157-and-tb-500/; https://vortexresearch.net/coa/,PubChem synonyms for this record include trifluoroacetate-salt names. The formula and masses are for the free peptide without counter-ions.
tb-500,TB-500,peptide,"free peptide, no counter-ion",TB500; TB 500; N-Acetyl-L-leucyl-L-lysyl-L-lysyl-L-threonyl-L-alpha-glutamyl-L-threonyl-L-glutamine,LKKTETQ,Ac-Leu-Lys-Lys-Thr-Glu-Thr-Gln-OH,7,N-acetyl (Ac-),free acid (-OH),,C38H68N10O14,889,888.49164688,0,62707662,885340-08-9,C38H68N10O14,889.01,888.4916,true,"LKKTETQ without the N-acetyl group (PubChem title: Fequesetide): CID 10169788, C36H66N10O13",,"https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/62707662/property/MolecularFormula,MolecularWeight,MonoisotopicMass,Charge,Title,IUPACName/JSON",https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/62707662/synonyms/JSON,https://pubchem.ncbi.nlm.nih.gov/rest/pug_view/data/compound/62707662/JSON?heading=CAS,https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/name/885340-08-9/cids/JSON,https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/62707662/synonyms/JSON,https://vortexresearch.net/blog/tb-500-vs-thymosin-beta-4/; https://vortexresearch.net/blog/bpc-157-and-tb-500/; https://vortexresearch.net/coa/,"Naming: ""TB-500"" is a market name, not a systematic one. PubChem CID 62707662 (synonyms TB-500 and TB500; CAS 885340-08-9) is Ac-LKKTETQ-OH, the N-acetylated heptapeptide matching residues 17-23 of the mature 43-residue thymosin beta-4 chain (numbering as in UniProt P62328 after removal of the initiator methionine). | Some supplier listings attach the full thymosin beta-4 identity (CAS 77591-33-4, C212H350N56O78S, about 4963 g/mol) to the name TB-500. That is a different molecule; it has its own row (thymosin-beta-4). | The same heptapeptide without the N-acetyl group is a separate PubChem record, CID 10169788 (C36H66N10O13), 42.01 Da lighter. See variants."
thymosin-beta-4,Thymosin beta-4 (Tβ4),peptide,"free peptide, no counter-ion",Timbetasin; Thymosin beta4; Tbeta4; Fx Peptide,SDKPDMAEIEKFDKSKLKKTETQEKNPLPSKETIEQEKQAGES,Ac-Ser-Asp-Lys-Pro-Asp-Met-Ala-Glu-Ile-Glu-Lys-Phe-Asp-Lys-Ser-Lys-Leu-Lys-Lys-Thr-Glu-Thr-Gln-Glu-Lys-Asn-Pro-Leu-Pro-Ser-Lys-Glu-Thr-Ile-Glu-Gln-Glu-Lys-Gln-Ala-Gly-Glu-Ser-OH,43,N-acetyl (Ac-),free acid (-OH),,C212H350N56O78S,4963,4960.4863169,0,16132341,77591-33-4,C212H350N56O78S,4963.44,4960.4863,true,,,"https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/16132341/property/MolecularFormula,MolecularWeight,MonoisotopicMass,Charge,Title,IUPACName/JSON",https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/16132341/synonyms/JSON,https://pubchem.ncbi.nlm.nih.gov/rest/pug_view/data/compound/16132341/JSON?heading=CAS,https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/name/77591-33-4/cids/JSON,https://rest.uniprot.org/uniprotkb/P62328.fasta,https://vortexresearch.net/blog/tb-500-vs-thymosin-beta-4/; https://vortexresearch.net/coa/,"Sequence source: UniProt P62328 (TYB4_HUMAN). The translated precursor starts with an initiator methionine that is removed; the mature chain is 43 residues (precursor positions 2-44) with an N-acetylated Ser1. Residue numbers in this dataset follow the mature chain. | UniProt also lists natural acetyl-lysine and phosphorylation sites. The formula and masses here are for the unmodified chain apart from the N-terminal acetyl group, which is what PubChem CID 16132341 records. | PubChem has two records with this formula: CID 16132341 (title Timbetasin, the INN; stereocentres defined; CAS 77591-33-4) and CID 45382195 (title Thymosin Beta 4, stereocentres not defined, no CAS listed). PubChem name lookup ""Thymosin beta-4"" returns CID 45382195. CID 16132341 is used because the CAS number resolves to it. | Not the same molecule as TB-500 (row tb-500). Ac-LKKTETQ is residues 17-23 of this chain. | Resolved: Main record average MW. PubChem reports 4963 (rounded to 0 decimal places); computed 4963.44. The 0.44 Da difference is PubChem's display rounding: the formulas are identical and the monoisotopic masses agree to 1.3e-7 Da."
ghk,GHK (free tripeptide),peptide,"free peptide, no copper, no counter-ion",Glycyl-L-histidyl-L-lysine; Gly-His-Lys; Prezatide; Tripeptide-1,GHK,H-Gly-His-Lys-OH,3,free amine (H-),free acid (-OH),,C14H24N6O4,340.38,340.18590327,0,73587,49557-75-7,C14H24N6O4,340.38,340.1859,true,,,"https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/73587/property/MolecularFormula,MolecularWeight,MonoisotopicMass,Charge,Title,IUPACName/JSON",https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/73587/synonyms/JSON,https://pubchem.ncbi.nlm.nih.gov/rest/pug_view/data/compound/73587/JSON?heading=CAS,https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/name/49557-75-7/cids/JSON,https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/73587/synonyms/JSON,https://vortexresearch.net/blog/ghk-cu-peptide/; https://vortexresearch.net/coa/,"This is the copper-free tripeptide. PubChem's synonym list for this record also carries the names ""GHK-Cu"" and ""Copper Peptide"", so a name lookup for ""GHK-Cu"" returns this copper-free record among its results. Match the CID to the material: copper complex = row ghk-cu. | The CAS-format string 1227510-36-2 appears in this record's synonym list but not in PubChem's CAS section; 49557-75-7 is used. | PubChem name lookup ""GHK"" returns 2 CIDs (73587, 342538); 73587 is the one used."
ghk-cu,GHK-Cu (copper complex),peptide (metal complex),"1:1 Cu(II) complex, drawn by PubChem as a cation (charge +1)",Prezatide copper; Copper tripeptide-1; GHK-Cu; GHK copper,GHK,H-Gly-His-Lys-OH,3,free amine (H-),free acid (-OH),"Cu(II) 1:1 complex, one H removed, charge +1",C14H23CuN6O4+,402.92,402.107675,1,71587328,89030-95-5,C14H23CuN6O4+,402.92,402.1077,true,,165429100; 139035031; 9831891; 133697840,"https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/71587328/property/MolecularFormula,MolecularWeight,MonoisotopicMass,Charge,Title,IUPACName/JSON",https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/71587328/synonyms/JSON,https://pubchem.ncbi.nlm.nih.gov/rest/pug_view/data/compound/71587328/JSON?heading=CAS,https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/name/89030-95-5/cids/JSON,https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/71587328/synonyms/JSON,https://vortexresearch.net/blog/ghk-cu-peptide/; https://vortexresearch.net/coa/,"CAS 89030-95-5 resolves to PubChem CID 71587328 (title Prezatide copper), which draws the 1:1 complex as a cation: GHK minus one proton plus Cu, overall charge +1, C14H23CuN6O4+. | PubChem holds several other GHK-copper records that differ in copper ratio and protonation (see related_pubchem_records), so ""GHK-Cu"" has no single formula or molecular weight. The value that applies to a solid material depends on the copper ratio, protonation state and counter-ions, which the lot report or supplier should state. | The copper-free tripeptide is row ghk (CID 73587, CAS 49557-75-7). | FLAG (PubChem data, not this row): CID 71587328 is drawn as the singly deprotonated cation (C14H23CuN6O4+), while several of its synonyms, e.g. ""Copper, (N2-(N-glycyl-L-histidyl)-L-lysinato(2-))-"", name the doubly deprotonated neutral complex (C14H22CuN6O4, the formula of CID 165429100). The two differ by one hydrogen (1.008 Da). | PubChem name lookup ""GHK-Cu"" returns 6 CIDs (139035031, 9831891, 73587, 71587328, 133697840, 165429100); 71587328 is the one used."
kpv,KPV,peptide,"free peptide, no counter-ion",Lys-Pro-Val; L-Lysyl-L-prolyl-L-valine; alpha-MSH (11-13) (free acid),KPV,H-Lys-Pro-Val-OH,3,free amine (H-),free acid (-OH),,C16H30N4O4,342.43,342.22670545,0,125672,67727-97-3,C16H30N4O4,342.43,342.2267,true,,,"https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/125672/property/MolecularFormula,MolecularWeight,MonoisotopicMass,Charge,Title,IUPACName/JSON",https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/125672/synonyms/JSON,https://pubchem.ncbi.nlm.nih.gov/rest/pug_view/data/compound/125672/JSON?heading=CAS,https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/name/67727-97-3/cids/JSON,https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/125672/synonyms/JSON,https://vortexresearch.net/coa/,"PubChem name lookup ""KPV"" returns CID 13294447, which is an unrelated compound (2-oxo-5-phenylpentanoic acid, C11H12O3). The tripeptide Lys-Pro-Val is CID 125672, which CAS 67727-97-3 resolves to. Do not resolve this compound by the bare name ""KPV"". | KPV matches residues 11-13 of alpha-MSH. In alpha-MSH itself the C-terminal valine is amidated (UniProt P01189, ""Valine amide""); the PubChem KPV record and its synonyms (H-Lys-Pro-Val-OH, ""alpha-MSH (11-13) (free acid)"") describe the free acid, which is what this row gives."
mots-c,MOTS-c,peptide,"free peptide, no counter-ion",Mots-c; H-MRWQEMGYIFYPRKLR-OH,MRWQEMGYIFYPRKLR,H-Met-Arg-Trp-Gln-Glu-Met-Gly-Tyr-Ile-Phe-Tyr-Pro-Arg-Lys-Leu-Arg-OH,16,free amine (H-),free acid (-OH),,C101H152N28O22S2,2174.6,2173.1077409,0,146675088,1627580-64-6,C101H152N28O22S2,2174.59,2173.1077,true,,164946842; 172641109,"https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/146675088/property/MolecularFormula,MolecularWeight,MonoisotopicMass,Charge,Title,IUPACName/JSON",https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/146675088/synonyms/JSON,https://pubchem.ncbi.nlm.nih.gov/rest/pug_view/data/compound/146675088/JSON?heading=CAS,https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/name/1627580-64-6/cids/JSON,https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/146675088/synonyms/JSON; https://rest.uniprot.org/uniprotkb/A0A0C5B5G6.fasta,https://vortexresearch.net/coa/,"Length: UniProt A0A0C5B5G6 (gene MT-RNR1) and PubChem CID 146675088 both give 16 residues, MRWQEMGYIFYPRKLR. No source reviewed for this dataset gives a different length. | CAS 1627580-64-6 resolves to three PubChem records: the free peptide (CID 146675088, used here) and two salt records. FLAG (PubChem data, not this row): CID 172641109 is titled ""Mots-C acetate"", but its formula (C107H155F9N28O28S2) equals the free peptide plus three trifluoroacetic acid units, so the title and formula of that record disagree. Not used."
selank,Selank,peptide,"free peptide, no counter-ion",TP-7; Thr-Lys-Pro-Arg-Pro-Gly-Pro; Selanc,TKPRPGP,H-Thr-Lys-Pro-Arg-Pro-Gly-Pro-OH,7,free amine (H-),free acid (-OH),,C33H57N11O9,751.9,751.43407244,0,11765600,129954-34-3,C33H57N11O9,751.87,751.4341,true,"N-acetyl Selank (Ac-TKPRPGP-OH): CID 133082488, C35H59N11O10",,"https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/11765600/property/MolecularFormula,MolecularWeight,MonoisotopicMass,Charge,Title,IUPACName/JSON",https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/11765600/synonyms/JSON,https://pubchem.ncbi.nlm.nih.gov/rest/pug_view/data/compound/11765600/JSON?heading=CAS,https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/name/129954-34-3/cids/JSON,https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/11765600/synonyms/JSON,https://vortexresearch.net/coa/,"Selank is the tuftsin sequence TKPR (PubChem CID 156080, H-Thr-Lys-Pro-Arg-OH) extended by Pro-Gly-Pro. | Variant names exist. ""N-Acetyl Selank"" is PubChem CID 133082488 (Ac-TKPRPGP-OH, C35H59N11O10, +42.01 Da; C-terminal free acid per its IUPAC name). The name ""N-Acetyl Selank Amidate"" has no PubChem record (lookup returns not found), so no formula is given for it here. A material sold under a variant name is a different molecule from the Selank in this row."
semax,Semax,peptide,"free peptide, no counter-ion","ACTH (4-7), Pro-Gly-Pro-; Met-Glu-His-Phe-Pro-Gly-Pro; MEHFPGP",MEHFPGP,H-Met-Glu-His-Phe-Pro-Gly-Pro-OH,7,free amine (H-),free acid (-OH),,C37H51N9O10S,813.9,813.34796003,0,9811102,80714-61-0,C37H51N9O10S,813.92,813.348,true,"N-acetyl Semax amidate (Ac-MEHFPGP-NH2): CID 172638603, C39H54N10O10S",,"https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/9811102/property/MolecularFormula,MolecularWeight,MonoisotopicMass,Charge,Title,IUPACName/JSON",https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/9811102/synonyms/JSON,https://pubchem.ncbi.nlm.nih.gov/rest/pug_view/data/compound/9811102/JSON?heading=CAS,https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/name/80714-61-0/cids/JSON,https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/9811102/synonyms/JSON,https://vortexresearch.net/coa/,"Semax is ACTH residues 4-7 (MEHF) extended by Pro-Gly-Pro, as PubChem's synonym ""ACTH (4-7), Pro-Gly-Pro-"" states. | Variant names exist. ""N-Acetyl Semax Amidate"" is PubChem CID 172638603 (Ac-MEHFPGP-NH2, C39H54N10O10S, 854.37 Da monoisotopic). The shorter name ""N-Acetyl Semax"" resolves to that same amidated record in PubChem, so the two names are not distinguished there. A material sold under a variant name is a different molecule from the Semax in this row."
nad,NAD+,small molecule (non-peptide),neutral inner-salt form (PubChem title Nadide),Nadide; beta-NAD; nicotinamide adenine dinucleotide; diphosphopyridine nucleotide,,,,,,,C21H27N7O14P2,663.4,663.10912256,0,5892,53-84-9,C21H27N7O14P2,663.43,663.1091,true,,,"https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/5892/property/MolecularFormula,MolecularWeight,MonoisotopicMass,Charge,Title,IUPACName/JSON",https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/5892/synonyms/JSON,https://pubchem.ncbi.nlm.nih.gov/rest/pug_view/data/compound/5892/JSON?heading=CAS,https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/name/53-84-9/cids/JSON,,https://vortexresearch.net/coa/,"Not a peptide: no sequence or residue count. mass.js computes masses from the formula; the formula itself is checked by an independent fragment sum (ADP-ribose, CID 33576, plus nicotinamide, CID 936, minus water). | PubChem name lookup ""NAD+"" returns four CIDs: 5892 (Nadide, C21H27N7O14P2, CAS 53-84-9), 5893 (protonated cation, C21H28N7O14P2+), 15938971 (anion, C21H26N7O14P2-) and 10897651 (a second record with the same formula as 5892). CID 5892 is used because CAS 53-84-9 resolves to it. | PubChem's CAS section also lists 64417-72-7 for this record (1 source entry, against 12 for 53-84-9); 53-84-9 is used."
5-amino-1mq,5-Amino-1MQ,small molecule (non-peptide),"quinolinium cation (charge +1), no counter-ion",5-amino-1-methylquinolinium; 5-Amino-1-methylquinolin-1-ium,,,,,,,C10H11N2+,159.21,159.092223359,1,950107,685079-15-6,C10H11N2+,159.21,159.0922,true,,66522933,"https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/950107/property/MolecularFormula,MolecularWeight,MonoisotopicMass,Charge,Title,IUPACName/JSON",https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/950107/synonyms/JSON,https://pubchem.ncbi.nlm.nih.gov/rest/pug_view/data/compound/950107/JSON?heading=CAS,https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/name/685079-15-6/cids/JSON,,https://vortexresearch.net/coa/,"Not a peptide: no sequence or residue count. Formula checked by an independent fragment sum (5-aminoquinoline, CID 11911, plus a methyl group on the ring nitrogen). | PubChem name lookup ""5-Amino-1MQ"" returns no record. The cation is CID 950107 (CAS 685079-15-6, C10H11N2+, 159.21). The iodide salt is CID 66522933 (CAS 42464-96-0, C10H11IN2, 286.11). Which CAS number and molecular weight apply to a material depends on its counter-ion. | FLAG (PubChem data, not this row): the iodide record's synonym list also contains ""5-Amino-1-methylquinolinium chloride"", which does not match that record's formula (iodide). Not used."