Human Phenotype Ontology Consortium
Monarch Initiative
Peter Robinson
Sebastian Köhler
The Human Phenotype Ontology (HPO) provides a standardized vocabulary of phenotypic abnormalities and clinical features encountered in human disease.
Peter Robinson, Sebastian Koehler, The Human Phenotype Ontology Consortium, and The Monarch Initiative
Phenotypic abnormalities encountered in human disease
Human Phenotype Ontology
human_phenotype
has_part
Peter Robinson, Sebastian Koehler, Sandra Doelken, Chris Mungall, Melissa Haendel, Nicole Vasilevsky, Monarch Initiative, et al.
Please see license of HPO at http://www.human-phenotype-ontology.org
definition
editor note
term replaced by
If R <- P o Q is a defining property chain axiom, then it also holds that R -> P o Q. Note that this cannot be expressed directly in OWL
is a defining property chain axiom
If R <- P o Q is a defining property chain axiom, then (1) R -> P o Q holds and (2) Q is either reflexive or locally reflexive. A corollary of this is that P SubPropertyOf R.
is a defining property chain axiom where second argument is reflexive
HPO:skoehler
abbreviation
2018-07-05T13:18:08Z
peter
display label
Core clinical terminology
is_observable_through
HPO:skoehler
layperson term
2018-05-05T19:01:17Z
peter
discarded/obsoleted synonym
HPO:skoehler
plural form
Consequence of a disorder in another organ system.
HPO:skoehler
UK spelling
uberon
dc-contributor
true
dc-contributor
contributor
uberon
dc-description
true
dc-description
description
uberon
dc-title
true
dc-title
title
uberon
dcterms-license
true
dcterms-license
license
subset_property
synonym_type_property
consider
has_alternative_id
has_broad_synonym
database_cross_reference
has_exact_synonym
has_narrow_synonym
has_obo_format_version
has_obo_namespace
has_related_synonym
has_synonym_type
in_subset
logical-definition-view-relation
shorthand
is part of
my brain is part of my body (continuant parthood, two material entities)
my stomach cavity is part of my stomach (continuant parthood, immaterial entity is part of material entity)
this day is part of this year (occurrent parthood)
a core relation that holds between a part and its whole
Everything is part of itself. Any part of any part of a thing is itself part of that thing. Two distinct things cannot be part of each other.
Occurrents are not subject to change and so parthood between occurrents holds for all the times that the part exists. Many continuants are subject to change, so parthood between continuants will only hold at certain times, but this is difficult to specify in OWL. See https://code.google.com/p/obo-relations/wiki/ROAndTime
Parthood requires the part and the whole to have compatible classes: only an occurrent can be part of an occurrent; only a process can be part of a process; only a continuant can be part of a continuant; only an independent continuant can be part of an independent continuant; only an immaterial entity can be part of an immaterial entity; only a specifically dependent continuant can be part of a specifically dependent continuant; only a generically dependent continuant can be part of a generically dependent continuant. (This list is not exhaustive.)
A continuant cannot be part of an occurrent: use 'participates in'. An occurrent cannot be part of a continuant: use 'has participant'. A material entity cannot be part of an immaterial entity: use 'has location'. A specifically dependent continuant cannot be part of an independent continuant: use 'inheres in'. An independent continuant cannot be part of a specifically dependent continuant: use 'bearer of'.
part_of
BFO:0000050
external
human_stages_ontology
protein
quality
uberon
part_of
part_of
part of
part of
part_of
http://www.obofoundry.org/ro/#OBO_REL:part_of
has part
my body has part my brain (continuant parthood, two material entities)
my stomach has part my stomach cavity (continuant parthood, material entity has part immaterial entity)
this year has part this day (occurrent parthood)
Q1 has_part Q2 if and only if: every instance of Q1 is a quality_of an entity that has_quality some Q2.
a core relation that holds between a whole and its part
Everything has itself as a part. Any part of any part of a thing is itself part of that thing. Two distinct things cannot have each other as a part.
Occurrents are not subject to change and so parthood between occurrents holds for all the times that the part exists. Many continuants are subject to change, so parthood between continuants will only hold at certain times, but this is difficult to specify in OWL. See https://code.google.com/p/obo-relations/wiki/ROAndTime
Parthood requires the part and the whole to have compatible classes: only an occurrent have an occurrent as part; only a process can have a process as part; only a continuant can have a continuant as part; only an independent continuant can have an independent continuant as part; only a specifically dependent continuant can have a specifically dependent continuant as part; only a generically dependent continuant can have a generically dependent continuant as part. (This list is not exhaustive.)
A continuant cannot have an occurrent as part: use 'participates in'. An occurrent cannot have a continuant as part: use 'has participant'. An immaterial entity cannot have a material entity as part: use 'location of'. An independent continuant cannot have a specifically dependent continuant as part: use 'bearer of'. A specifically dependent continuant cannot have an independent continuant as part: use 'inheres in'.
has_part
BFO:0000051
chebi_ontology
external
protein
quality
uberon
has_part
false
has_part
We use the has_part relation to relate complex qualities to more primitive ones. A complex quality is a collection of qualities. The complex quality cannot exist without the sub-qualities. For example, the quality 'swollen' necessarily comes with the qualities of 'protruding' and 'increased size'.
has part
has part
has_part
Q1 has_part Q2 if and only if: every instance of Q1 is a quality_of an entity that has_quality some Q2.
PATOC:CJM
preceded by
X preceded_by Y iff: end(Y) before_or_simultaneous_with start(X)
x is preceded by y if and only if the time point at which y ends is before or equivalent to the time point at which x starts. Formally: x preceded by y iff ω(y) <= α(x), where α is a function that maps a process to a start point, and ω is a function that maps a process to an end point.
An example is: translation preceded_by transcription; aging preceded_by development (not however death preceded_by aging). Where derives_from links classes of continuants, preceded_by links classes of processes. Clearly, however, these two relations are not independent of each other. Thus if cells of type C1 derive_from cells of type C, then any cell division involving an instance of C1 in a given lineage is preceded_by cellular processes involving an instance of C. The assertion P preceded_by P1 tells us something about Ps in general: that is, it tells us something about what happened earlier, given what we know about what happened later. Thus it does not provide information pointing in the opposite direction, concerning instances of P1 in general; that is, that each is such as to be succeeded by some instance of P. Note that an assertion to the effect that P preceded_by P1 is rather weak; it tells us little about the relations between the underlying instances in virtue of which the preceded_by relation obtains. Typically we will be interested in stronger relations, for example in the relation immediately_preceded_by, or in relations which combine preceded_by with a condition to the effect that the corresponding instances of P and P1 share participants, or that their participants are connected by relations of derivation, or (as a first step along the road to a treatment of causality) that the one process in some way affects (for example, initiates or regulates) the other.
is preceded by
preceded_by
http://www.obofoundry.org/ro/#OBO_REL:preceded_by
BFO:0000062
is preceded by
takes place after
human_stages_ontology
uberon
preceded_by
preceded_by
preceded by
preceded_by
is preceded by
SIO:000249
takes place after
Allen:precedes
precedes
x precedes y if and only if the time point at which x ends is before or equivalent to the time point at which y starts. Formally: x precedes y iff ω(x) <= α(y), where α is a function that maps a process to a start point, and ω is a function that maps a process to an end point.
BFO:0000063
uberon
precedes
precedes
precedes
precedes
occurs in
b occurs_in c =def b is a process and c is a material entity or immaterial entity& there exists a spatiotemporal region r and b occupies_spatiotemporal_region r.& forall(t) if b exists_at t then c exists_at t & there exist spatial regions s and s’ where & b spatially_projects_onto s at t& c is occupies_spatial_region s’ at t& s is a proper_continuant_part_of s’ at t
occurs_in
unfolds in
unfolds_in
BFO:0000066
external
occurs_in
occurs_in
Paraphrase of definition: a relation between a process and an independent continuant, in which the process takes place entirely within the independent continuant
occurs in
occurs in
site of
[copied from inverse property 'occurs in'] b occurs_in c =def b is a process and c is a material entity or immaterial entity& there exists a spatiotemporal region r and b occupies_spatiotemporal_region r.& forall(t) if b exists_at t then c exists_at t & there exist spatial regions s and s’ where & b spatially_projects_onto s at t& c is occupies_spatial_region s’ at t& s is a proper_continuant_part_of s’ at t
Paraphrase of definition: a relation between an independent continuant and a process, in which the process takes place entirely within the independent continuant
contains process
x anterior_to y iff x is further along the antero-posterior axis than y, towards the head. An antero-posterior axis is an axis that bisects an organism from head end to opposite end of body or tail: bearer
cjm
2009-07-31T02:15:46Z
BSPO:0000096
uberon
anterior_to
anterior_to
anterior_to
x anterior_to y iff x is further along the antero-posterior axis than y, towards the head. An antero-posterior axis is an axis that bisects an organism from head end to opposite end of body or tail: bearer
x distal_to y iff x is further along the proximo-distal axis than y, towards the appendage tip. A proximo-distal axis extends from tip of an appendage (distal) to where it joins the body (proximal).
BSPO:0000097
uberon
distal_to
distal_to
distal_to
x distal_to y iff x is further along the proximo-distal axis than y, towards the appendage tip. A proximo-distal axis extends from tip of an appendage (distal) to where it joins the body (proximal).
x dorsal_to y iff x is further along the dorso-ventral axis than y, towards the back. A dorso-ventral axis is an axis that bisects an organism from back (e.g. spinal column) to front (e.g. belly).
BSPO:0000098
uberon
dorsal_to
dorsal_to
dorsal_to
x dorsal_to y iff x is further along the dorso-ventral axis than y, towards the back. A dorso-ventral axis is an axis that bisects an organism from back (e.g. spinal column) to front (e.g. belly).
x posterior_to y iff x is further along the antero-posterior axis than y, towards the body/tail. An antero-posterior axis is an axis that bisects an organism from head end to opposite end of body or tail.
BSPO:0000099
caudal_to
uberon
posterior_to
posterior_to
posterior_to
x posterior_to y iff x is further along the antero-posterior axis than y, towards the body/tail. An antero-posterior axis is an axis that bisects an organism from head end to opposite end of body or tail.
x proximal_to y iff x is closer to the point of attachment with the body than y.
BSPO:0000100
uberon
proximal_to
proximal_to
proximal_to
x proximal_to y iff x is closer to the point of attachment with the body than y.
x ventral_to y iff x is further along the dorso-ventral axis than y, towards the front. A dorso-ventral axis is an axis that bisects an organism from back (e.g. spinal column) to front (e.g. belly).
BSPO:0000102
uberon
ventral_to
ventral_to
ventral_to
x ventral_to y iff x is further along the dorso-ventral axis than y, towards the front. A dorso-ventral axis is an axis that bisects an organism from back (e.g. spinal column) to front (e.g. belly).
Further away from the surface of the organism. Thus, the muscular layer is deep to the skin, but superficial to the intestines.
BSPO:0000107
uberon
deep_to
deep_to
deep_to
Further away from the surface of the organism. Thus, the muscular layer is deep to the skin, but superficial to the intestines.
Near the outer surface of the organism. Thus, skin is superficial to the muscle layer.
BSPO:0000108
uberon
superficial_to
superficial_to
superficial_to
Near the outer surface of the organism. Thus, skin is superficial to the muscle layer.
X in_left_side_of Y <=> if Y is subdivided into left and right portions, X is part_of the left portion.
BSPO:0000120
uberon
in_left_side_of
in_left_side_of
in_left_side_of
https://github.com/obophenotype/uberon/wiki/Modeling-paired-structures-Design-Pattern
X in_left_side_of Y <=> if Y is subdivided into left and right portions, X is part_of the left portion.
BSPO:PATO_mtg_2009
X in_right_side_of Y <=> if Y is subdivided into left and right portions, X is part_of the right portion.
BSPO:0000121
uberon
in_right_side_of
in_right_side_of
in_right_side_of
https://github.com/obophenotype/uberon/wiki/Modeling-paired-structures-Design-Pattern
X in_right_side_of Y <=> if Y is subdivided into left and right portions, X is part_of the right portion.
BSPO:PATO_mtg_2009
X posterior_side_of Y <=> if Y is subdivided into two anterior and posterior portions, X is part_of the posterior portion.
BSPO:0000122
uberon
in_posterior_side_of
in_posterior_side_of
in_posterior_side_of
X posterior_side_of Y <=> if Y is subdivided into two anterior and posterior portions, X is part_of the posterior portion.
BSPO:PATO_mtg_2009
X anterior_side_of Y <=> if Y is subdivided into two anterior and posterior portions, X is part_of the anterior portion.
BSPO:0000123
uberon
in_anterior_side_of
in_anterior_side_of
in_anterior_side_of
X anterior_side_of Y <=> if Y is subdivided into two anterior and posterior portions, X is part_of the anterior portion.
BSPO:PATO_mtg_2009
X proximal_side_of Y <=> if Y is subdivided into distal and proximal portions, X is part_of the proximal portion.
BSPO:0000124
uberon
in_proximal_side_of
in_proximal_side_of
in_proximal_side_of
X proximal_side_of Y <=> if Y is subdivided into distal and proximal portions, X is part_of the proximal portion.
BSPO:PATO_mtg_2009
X distal_side_of Y <=> if Y is subdivided into distal and proximal portions, X is part_of the distal portion.
BSPO:0000125
uberon
in_distal_side_of
in_distal_side_of
in_distal_side_of
X distal_side_of Y <=> if Y is subdivided into distal and proximal portions, X is part_of the distal portion.
BSPO:PATO_mtg_2009
X in_lateral_side_of Y <=> if X is in_left_side_of Y or X is in_right_side_of Y. X is often, but not always a paired structure
BSPO:0000126
uberon
in_lateral_side_of
in_lateral_side_of
in_lateral_side_of
https://github.com/obophenotype/uberon/wiki/Modeling-paired-structures-Design-Pattern
X in_lateral_side_of Y <=> if X is in_left_side_of Y or X is in_right_side_of Y. X is often, but not always a paired structure
X superficial_part_of Y <=> if Y is subdivided into two superficial and deep portions, X is part_of the deep portion.
BSPO:0001101
uberon
in_deep_part_of
in_deep_part_of
in_deep_part_of
X superficial_part_of Y <=> if Y is subdivided into two superficial and deep portions, X is part_of the deep portion.
X proximalmost_part_of Y <=> X is part_of Y and X is adjacent_to the proximal boundary of Y
BSPO:0001106
uberon
proximalmost_part_of
proximalmost_part_of
proximalmost_part_of
X proximalmost_part_of Y <=> X is part_of Y and X is adjacent_to the proximal boundary of Y
This relation holds when both the deep_to and ajdacent_to relationship similarly hold.
BSPO:0001107
uberon
immediately_deep_to
immediately_deep_to
immediately_deep_to
This relation holds when both the deep_to and ajdacent_to relationship similarly hold.
X distalmost_part_of Y <=> X is part_of Y and X is adjacent_to the distal boundary of Y
BSPO:0001108
uberon
distalmost_part_of
distalmost_part_of
distalmost_part_of
X distalmost_part_of Y <=> X is part_of Y and X is adjacent_to the distal boundary of Y
BSPO:0001113
uberon
preaxialmost_part_of
preaxialmost_part_of
preaxialmost_part_of
BSPO:0001115
uberon
postaxialmost_part_of
postaxialmost_part_of
postaxialmost_part_of
X intersects_median_plane of iff X crosses the midine plane of Y.
BSPO:0005001
uberon
intersects_midsagittal_plane_of
intersects_midsagittal_plane_of
intersects_midsagittal_plane_of
BSPO:0015014
uberon
immediately_superficial_to
immediately_superficial_to
immediately_superficial_to
BSPO:0015101
uberon
in_dorsal_side_of
in_dorsal_side_of
in_dorsal_side_of
BSPO:0015102
uberon
in_ventral_side_of
in_ventral_side_of
in_ventral_side_of
inheres in
this fragility inheres in this vase
this red color inheres in this apple
a relation between a specifically dependent continuant (the dependent) and an independent continuant (the bearer), in which the dependent specifically depends on the bearer for its existence
A dependent inheres in its bearer at all times for which the dependent exists.
inheres_in
RO:0000052
inheres_in
inheres_in
inheres in
inheres in
bearer of
this apple is bearer of this red color
this vase is bearer of this fragility
a relation between an independent continuant (the bearer) and a specifically dependent continuant (the dependent), in which the dependent specifically depends on the bearer for its existence
A bearer can have many dependents, and its dependents can exist for different periods of time, but none of its dependents can exist when the bearer does not exist.
bearer_of
is bearer of
bearer of
participates in
this blood clot participates in this blood coagulation
this input material (or this output material) participates in this process
this investigator participates in this investigation
a relation between a continuant and a process, in which the continuant is somehow involved in the process
participates_in
participates in
has participant
this blood coagulation has participant this blood clot
this investigation has participant this investigator
this process has participant this input material (or this output material)
a relation between a process and a continuant, in which the continuant is somehow involved in the process
Has_participant is a primitive instance-level relation between a process, a continuant, and a time at which the continuant participates in some way in the process. The relation obtains, for example, when this particular process of oxygen exchange across this particular alveolar membrane has_participant this particular sample of hemoglobin at this particular time.
has_participant
http://www.obofoundry.org/ro/#OBO_REL:has_participant
has participant
this investigator role is a role of this person
a relation between a role and an independent continuant (the bearer), in which the role specifically depends on the bearer for its existence
A role inheres in its bearer at all times for which the role exists, however the role need not be realized at all the times that the role exists.
is role of
role_of
role of
RO:0000086
protein
has_quality
false
has_quality
has_quality
this person has role this investigator role (more colloquially: this person has this role of investigator)
a relation between an independent continuant (the bearer) and a role, in which the role specifically depends on the bearer for its existence
A bearer can have many roles, and its roles can exist for different periods of time, but none of its roles can exist when the bearer does not exist. A role need not be realized at all the times that the role exists.
has_role
RO:0000087
chebi_ontology
protein
has_role
false
false
has_role
has role
has role
has_role
is location of
my head is the location of my brain
this cage is the location of this rat
a relation between two independent continuants, the location and the target, in which the target is entirely within the location
Most location relations will only hold at certain times, but this is difficult to specify in OWL. See https://code.google.com/p/obo-relations/wiki/ROAndTime
location_of
RO:0001015
uberon
location_of
location_of
location of
location_of
contained in
Containment is location not involving parthood, and arises only where some immaterial continuant is involved.
Containment obtains in each case between material and immaterial continuants, for instance: lung contained_in thoracic cavity; bladder contained_in pelvic cavity. Hence containment is not a transitive relation. If c part_of c1 at t then we have also, by our definition and by the axioms of mereology applied to spatial regions, c located_in c1 at t. Thus, many examples of instance-level location relations for continuants are in fact cases of instance-level parthood. For material continuants location and parthood coincide. Containment is location not involving parthood, and arises only where some immaterial continuant is involved. To understand this relation, we first define overlap for continuants as follows: c1 overlap c2 at t =def for some c, c part_of c1 at t and c part_of c2 at t. The containment relation on the instance level can then be defined (see definition):
Intended meaning:
domain: material entity
range: spatial region or site (immaterial continuant)
contained_in
contained in
contains
RO:0001019
uberon
contains
contains
contains
contains
located in
my brain is located in my head
this rat is located in this cage
a relation between two independent continuants, the target and the location, in which the target is entirely within the location
Location as a relation between instances: The primitive instance-level relation c located_in r at t reflects the fact that each continuant is at any given time associated with exactly one spatial region, namely its exact location. Following we can use this relation to define a further instance-level location relation - not between a continuant and the region which it exactly occupies, but rather between one continuant and another. c is located in c1, in this sense, whenever the spatial region occupied by c is part_of the spatial region occupied by c1. Note that this relation comprehends both the relation of exact location between one continuant and another which obtains when r and r1 are identical (for example, when a portion of fluid exactly fills a cavity), as well as those sorts of inexact location relations which obtain, for example, between brain and head or between ovum and uterus
Most location relations will only hold at certain times, but this is difficult to specify in OWL. See https://code.google.com/p/obo-relations/wiki/ROAndTime
located_in
http://www.obofoundry.org/ro/#OBO_REL:located_in
RO:0001025
protein
uberon
located_in
located_in
located in
located_in
This is redundant with the more specific 'independent and not spatial region' constraint. We leave in the redundant axiom for use with reasoners that do not use negation.
This is redundant with the more specific 'independent and not spatial region' constraint. We leave in the redundant axiom for use with reasoners that do not use negation.
RO:0002002
uberon
has_boundary
has_boundary
has boundary
RO:0002005
nerve supply
uberon
innervated_by
innervated_by
http://code.google.com/p/obo-relations/issues/detail?id=6
innervated_by
nerve supply
FMA:85999
RO:0002007
uberon
bounding_layer_of
bounding_layer_of
A relationship that applies between a continuant and its outer, bounding layer. Examples include the relationship between a multicellular organism and its integument, between an animal cell and its plasma membrane, and between a membrane bound organelle and its outer/bounding membrane.
bounding layer of
A 'has regulatory component activity' B if A and B are GO molecular functions (GO_0003674), A has_component B and A is regulated by B.
dos
2017-05-24T09:30:46Z
has regulatory component activity
A relationship that holds between a GO molecular function and a component of that molecular function that negatively regulates the activity of the whole. More formally, A 'has regulatory component activity' B iff :A and B are GO molecular functions (GO_0003674), A has_component B and A is negatively regulated by B.
dos
2017-05-24T09:31:01Z
By convention GO molecular functions are classified by their effector function. Internal regulatory functions are treated as components. For example, NMDA glutmate receptor activity is a cation channel activity with positive regulatory component 'glutamate binding' and negative regulatory components including 'zinc binding' and 'magnesium binding'.
has negative regulatory component activity
A relationship that holds between a GO molecular function and a component of that molecular function that positively regulates the activity of the whole. More formally, A 'has regulatory component activity' B iff :A and B are GO molecular functions (GO_0003674), A has_component B and A is positively regulated by B.
dos
2017-05-24T09:31:17Z
By convention GO molecular functions are classified by their effector function and internal regulatory functions are treated as components. So, for example calmodulin has a protein binding activity that has positive regulatory component activity calcium binding activity. Receptor tyrosine kinase activity is a tyrosine kinase activity that has positive regulatory component 'ligand binding'.
has positive regulatory component activity
dos
2017-05-24T09:44:33Z
A 'has component activity' B if A is A and B are molecular functions (GO_0003674) and A has_component B.
has component activity
w 'has process component' p if p and w are processes, w 'has part' p and w is such that it can be directly disassembled into into n parts p, p2, p3, ..., pn, where these parts are of similar type.
dos
2017-05-24T09:49:21Z
has component process
dos
2017-09-17T13:52:24Z
Process(P2) is directly regulated by process(P1) iff: P1 regulates P2 via direct physical interaction between an agent executing P1 (or some part of P1) and an agent executing P2 (or some part of P2). For example, if protein A has protein binding activity(P1) that targets protein B and this binding regulates the kinase activity (P2) of protein B then P1 directly regulates P2.
directly regulated by
Process(P2) is directly regulated by process(P1) iff: P1 regulates P2 via direct physical interaction between an agent executing P1 (or some part of P1) and an agent executing P2 (or some part of P2). For example, if protein A has protein binding activity(P1) that targets protein B and this binding regulates the kinase activity (P2) of protein B then P1 directly regulates P2.
GOC:dos
Process(P2) is directly negatively regulated by process(P1) iff: P1 negatively regulates P2 via direct physical interaction between an agent executing P1 (or some part of P1) and an agent executing P2 (or some part of P2). For example, if protein A has protein binding activity(P1) that targets protein B and this binding negatively regulates the kinase activity (P2) of protein B then P2 directly negatively regulated by P1.
dos
2017-09-17T13:52:38Z
directly negatively regulated by
Process(P2) is directly negatively regulated by process(P1) iff: P1 negatively regulates P2 via direct physical interaction between an agent executing P1 (or some part of P1) and an agent executing P2 (or some part of P2). For example, if protein A has protein binding activity(P1) that targets protein B and this binding negatively regulates the kinase activity (P2) of protein B then P2 directly negatively regulated by P1.
GOC:dos
Process(P2) is directly postively regulated by process(P1) iff: P1 positively regulates P2 via direct physical interaction between an agent executing P1 (or some part of P1) and an agent executing P2 (or some part of P2). For example, if protein A has protein binding activity(P1) that targets protein B and this binding positively regulates the kinase activity (P2) of protein B then P2 is directly postively regulated by P1.
dos
2017-09-17T13:52:47Z
directly positively regulated by
Process(P2) is directly postively regulated by process(P1) iff: P1 positively regulates P2 via direct physical interaction between an agent executing P1 (or some part of P1) and an agent executing P2 (or some part of P2). For example, if protein A has protein binding activity(P1) that targets protein B and this binding positively regulates the kinase activity (P2) of protein B then P2 is directly postively regulated by P1.
GOC:dos
A 'has effector activity' B if A and B are GO molecular functions (GO_0003674), A 'has component activity' B and B is the effector (output function) of B. Each compound function has only one effector activity.
dos
2017-09-22T14:14:36Z
This relation is designed for constructing compound molecular functions, typically in combination with one or more regulatory component activity relations.
has effector activity
A 'has effector activity' B if A and B are GO molecular functions (GO_0003674), A 'has component activity' B and B is the effector (output function) of B. Each compound function has only one effector activity.
GOC:dos
David Osumi-Sutherland
X ends_after Y iff: end(Y) before_or_simultaneous_with end(X)
ends after
X immediately_preceded_by Y iff: end(X) simultaneous_with start(Y)
David Osumi-Sutherland
starts_at_end_of
A non-transitive temporal relation in which one process immediately precedes another process, such that there is no interval of time between the two processes[SIO:000251].
RO:0002087
directly preceded by
is directly preceded by
is immediately preceded by
starts_at_end_of
human_stages_ontology
uberon
immediately_preceded_by
immediately_preceded_by
X immediately_preceded_by Y iff: end(X) simultaneous_with start(Y)
immediately preceded by
immediately_preceded_by
A non-transitive temporal relation in which one process immediately precedes another process, such that there is no interval of time between the two processes[SIO:000251].
SIO:000251
is immediately preceded by
SIO:000251
David Osumi-Sutherland
ends_at_start_of
meets
X immediately_precedes_Y iff: end(X) simultaneous_with start(Y)
immediately precedes
x overlaps y if and only if there exists some z such that x has part z and z part of y
http://purl.obolibrary.org/obo/BFO_0000051 some (http://purl.obolibrary.org/obo/BFO_0000050 some ?Y)
overlaps
true
RO:0002134
uberon
innervates
innervates
http://code.google.com/p/obo-relations/issues/detail?id=6
innervates
RO:0002150
uberon
continuous_with
continuous_with
continuous_with
RO:0002158
uberon
homologous_to
homologous_to
homologous_to
RO:0002159
uberon
serially_homologous_to
serially_homologous_to
serially_homologous_to
U only_in_taxon T: U is a feature found in only in organisms of species of taxon T. The feature cannot be found in an organism of any species outside of (not subsumed by) that taxon. Down-propagates in U hierarchy, up-propagates in T hierarchy (species taxonomy). Implies applicable_to_taxon.
RO:0002160
never_outside_taxon
specific_to
specific_to_taxon
protein
only_in_taxon
false
only_in_taxon
Down-propagates. The original name for this in the paper is 'specific_to'. Applicable to genes because some genes are lost in sub-species (strains) of a species.
only_in_taxon
U only_in_taxon T: U is a feature found in only in organisms of species of taxon T. The feature cannot be found in an organism of any species outside of (not subsumed by) that taxon. Down-propagates in U hierarchy, up-propagates in T hierarchy (species taxonomy). Implies applicable_to_taxon.
ROC:Waclaw
a 'toe distal phalanx bone' that is connected to a 'toe medial phalanx bone' (an interphalangeal joint *connects* these two bones).
Binary relationship: x connected_to y if and only if there exists some z such that z connects x and y in a ternary connected_to(x,y,z) relationship.
a is connected to b if and only if a and b are discrete structure, and there exists some connecting structure c, such that c connects a and b
RO:0002170
uberon
connected_to
connected_to
Connection does not imply overlaps.
connected to
connected to
https://github.com/obophenotype/uberon/wiki/Connectivity-Design-Pattern
https://github.com/obophenotype/uberon/wiki/Modeling-articulations-Design-Pattern
Binary relationship: x connected_to y if and only if there exists some z such that z connects x and y in a ternary connected_to(x,y,z) relationship.
Binary relationship: z connects x if and only if there exists some y such that z connects x and y in a ternary connected_to(x,y,z) relationship.
this is currently used for both structural relationships (such as between a valve and the chamber it connects) and abstract relationships (anatomical lines and the entities they connect)
RO:0002176
uberon
connects
connects
connects
Binary relationship: z connects x if and only if there exists some y such that z connects x and y in a ternary connected_to(x,y,z) relationship.
a is attached to part of b if a is attached to b, or a is attached to some p, where p is part of b.
attached to part of (anatomical structure to anatomical structure)
RO:0002177
uberon
attaches_to_part_of
attaches_to_part_of
attached to part of
attaches_to_part_of
true
true
relation between an artery and the structure is supplies with blood.
RO:0002178
arterial supply of
uberon
supplies
supplies
source: FMA
supplies
arterial supply of
FMA:86003
RO:0002179
drains blood from
drains from
uberon
drains
drains
source: Wikipedia
drains
w 'has component' p if w 'has part' p and w is such that it can be directly disassembled into into n parts p, p2, p3, ..., pn, where these parts are of similar type.
The definition of 'has component' is still under discussion. The challenge is in providing a definition that does not imply transitivity.
For use in recording has_part with a cardinality constraint, because OWL does not permit cardinality constraints to be used in combination with transitive object properties. In situations where you would want to say something like 'has part exactly 5 digit, you would instead use has_component exactly 5 digit.
RO:0002180
protein
uberon
has_component
false
has_component
has component
has component
has_component
x develops from y if and only if either (a) x directly develops from y or (b) there exists some z such that x directly develops from z and z develops from y
Chris Mungall
David Osumi-Sutherland
Melissa Haendel
Terry Meehan
RO:0002202
uberon
develops_from
develops_from
This is the transitive form of the develops from relation
develops_from
RO:0002203
uberon
develops_into
develops_into
develops_into
RO:0002207
uberon
directly_develops_from
directly_develops_from
directly_develops_from
process(P1) regulates process(P2) iff: P1 results in the initiation or termination of P2 OR affects the frequency of its initiation or termination OR affects the magnitude or rate of output of P2.
We use 'regulates' here to specifically imply control. However, many colloquial usages of the term correctly correspond to the weaker relation of 'causally upstream of or within' (aka influences). Consider relabeling to make things more explicit
Chris Mungall
David Hill
Tanya Berardini
GO
Regulation precludes parthood; the regulatory process may not be within the regulated process.
regulates (processual)
false
RO:0002211
external
regulates
regulates
regulates
regulates
Process(P1) negatively regulates process(P2) iff: P1 terminates P2, or P1 descreases the the frequency of initiation of P2 or the magnitude or rate of output of P2.
Chris Mungall
negatively regulates (process to process)
RO:0002212
external
negatively_regulates
negatively_regulates
negatively regulates
negatively regulates
Process(P1) postively regulates process(P2) iff: P1 initiates P2, or P1 increases the the frequency of initiation of P2 or the magnitude or rate of output of P2.
Chris Mungall
positively regulates (process to process)
RO:0002213
external
positively_regulates
positively_regulates
positively regulates
positively regulates
mechanosensory neuron capable of detection of mechanical stimulus involved in sensory perception (GO:0050974)
osteoclast SubClassOf 'capable of' some 'bone resorption'
A relation between a material entity (such as a cell) and a process, in which the material entity has the ability to carry out the process.
Chris Mungall
has function realized in
For compatibility with BFO, this relation has a shortcut definition in which the expression "capable of some P" expands to "bearer_of (some realized_by only P)".
RO_0000053 some (RO_0000054 only ?Y)
RO:0002215
protein
uberon
capable_of
false
capable_of
capable of
capable of
capable_of
c stands in this relationship to p if and only if there exists some p' such that c is capable_of p', and p' is part_of p.
Chris Mungall
has function in
RO_0000053 some (RO_0000054 only (BFO_0000050 some ?Y))
capable of part of
true
x surrounded_by y iff: x is adjacent to y and for every region r adjacent to x, r overlaps y
RO:0002219
uberon
surrounded_by
surrounded_by
surrounded_by
x surrounded_by y iff: x is adjacent to y and for every region r adjacent to x, r overlaps y
x adjacent_to y iff: x and y share a boundary
RO:0002220
uberon
adjacent_to
adjacent_to
adjacent_to
inverse of surrounded_by
RO:0002221
uberon
surrounds
surrounds
surrounds
inverse of surrounded_by
Chris Mungall
Do not use this relation directly. It is ended as a grouping for relations between occurrents involving the relative timing of their starts and ends.
https://docs.google.com/document/d/1kBv1ep_9g3sTR-SD3jqzFqhuwo9TPNF-l-9fUDbO6rM/edit?pli=1
A relation that holds between two occurrents. This is a grouping relation that collects together all the Allen relations.
temporally related to
Relation between occurrents, shares a start boundary with.
RO:0002223
uberon
starts
starts
starts
Relation between occurrents, shares a start boundary with.
Allen:starts
RO:0002224
uberon
starts_with
starts_with
starts with
RO:0002225
uberon
develops_from_part_of
develops_from_part_of
develops_from_part_of
RO:0002226
uberon
develops_in
develops_in
This relation take from EHDAA2 - precise semantics yet to be defined
develops_in
Relation between occurrents, shares an end boundary with.
RO:0002229
finishes
uberon
ends
ends
ends
Relation between occurrents, shares an end boundary with.
Allen:starts
ZFS:finishes
RO:0002230
uberon
ends_with
ends_with
ends with
p has input c iff: p is a process, c is a material entity, c is a participant in p, c is present at the start of p, and the state of c is modified during p.
Chris Mungall
consumes
has input
RO:0002254
uberon
has_developmental_contribution_from
has_developmental_contribution_from
has developmental contribution from
RO:0002255
uberon
developmentally_contributes_to
developmentally_contributes_to
developmentally_contributes_to
t1 developmentally_induced_by t2 if there is a process of organ induction (GO:0001759) with t1 and t2 as interacting participants. t2 causes t1 to change its fate from a precursor tissue type T to T', where T' develops_from T.
RO:0002256
uberon
developmentally_induced_by
developmentally_induced_by
sources for developmentally_induced_by relationships in Uberon: Developmental Biology, Gilbert, 8th edition, figure 6.5(F)
developmentally_induced_by
t1 developmentally_induced_by t2 if there is a process of organ induction (GO:0001759) with t1 and t2 as interacting participants. t2 causes t1 to change its fate from a precursor tissue type T to T', where T' develops_from T.
GO:0001759
A faulty traffic light (material entity) whose malfunctioning (a process) is causally upstream of a traffic collision (a process): the traffic light acts upstream of the collision.
c acts upstream of p if and only if c enables some f that is involved in p' and p' occurs chronologically before p, is not part of p, and affects the execution of p. c is a material entity and f, p, p' are processes.
acts upstream of
A gene product that has some activity, where that activity may be a part of a pathway or upstream of the pathway.
c acts upstream of or within p if c is enables f, and f is causally upstream of or within p. c is a material entity and p is an process.
affects
acts upstream of or within
RO:0002285
uberon
developmentally_replaces
developmentally_replaces
developmentally_replaces
cjm
holds between x and y if and only if x is causally upstream of y and the progression of x increases the frequency, rate or extent of y
causally upstream of, positive effect
cjm
holds between x and y if and only if x is causally upstream of y and the progression of x decreases the frequency, rate or extent of y
causally upstream of, negative effect
q inheres in part of w if and only if there exists some p such that q inheres in p and p part of w.
Because part_of is transitive, inheres in is a sub-relation of inheres in part of
Chris Mungall
RO:0002314
inheres_in_part_of
inheres_in_part_of
inheres in part of
inheres in part of
true
A mereological relationship or a topological relationship
Chris Mungall
Do not use this relation directly. It is ended as a grouping for a diverse set of relations, all involving parthood or connectivity relationships
mereotopologically related to
a particular instances of akt-2 enables some instance of protein kinase activity
Chris Mungall
catalyzes
executes
has
is catalyzing
is executing
This relation differs from the parent relation 'capable of' in that the parent is weaker and only expresses a capability that may not be actually realized, whereas this relation is always realized.
This relation is currently used experimentally by the Gene Ontology Consortium. It may not be stable and may be obsoleted at some future time.
enables
A grouping relationship for any relationship directly involving a function, or that holds because of a function of one of the related entities.
Chris Mungall
This is a grouping relation that collects relations used for the purpose of connecting structure and function
RO:0002328
uberon
functionally_related_to
functionally_related_to
functionally related to
functionally related to
this relation holds between c and p when c is part of some c', and c' is capable of p.
Chris Mungall
false
RO:0002329
uberon
part_of_structure_that_is_capable_of
part_of_structure_that_is_capable_of
part of structure that is capable of
part of structure that is capable of
true
c involved_in p if and only if c enables some process p', and p' is part of p
Chris Mungall
actively involved in
enables part of
involved in
inverse of enables
Chris Mungall
enabled by
inverse of regulates
Chris Mungall
regulated by (processual)
regulated by
inverse of negatively regulates
Chris Mungall
negatively regulated by
inverse of positively regulates
Chris Mungall
positively regulated by
RO:0002350
uberon
member_of
member_of
member of
RO:0002351
uberon
has_member
has_member
has member
inverse of has input
Chris Mungall
input of
RO:0002353
protein
output_of
false
output_of
output_of
a is attached to b if and only if a and b are discrete objects or object parts, and there are physical connections between a and b such that a force pulling a will move b, or a force pulling b will move a
Chris Mungall
attached to (anatomical structure to anatomical structure)
RO:0002371
uberon
attaches_to
attaches_to
attached to
attaches_to
m has_muscle_origin s iff m is attaches_to s, and it is the case that when m contracts, s does not move. The site of the origin tends to be more proximal and have greater mass than what the other end attaches to.
RO:0002372
uberon
has_muscle_origin
has_muscle_origin
The origin is the end of a muscle that attaches to the more fixed part of the skeleton, which is the proximal end in limb muscles
has_muscle_origin
m has_muscle_origin s iff m is attaches_to s, and it is the case that when m contracts, s does not move. The site of the origin tends to be more proximal and have greater mass than what the other end attaches to.
m has_muscle_insertion s iff m is attaches_to s, and it is the case that when m contracts, s moves. Insertions are usually connections of muscle via tendon to bone.
RO:0002373
uberon
has_muscle_insertion
has_muscle_insertion
The insertion is the point of attachment of a muscle that moves the most when the muscle shortens, or the most distal end of limb muscles
has_muscle_insertion
m has_muscle_insertion s iff m is attaches_to s, and it is the case that when m contracts, s moves. Insertions are usually connections of muscle via tendon to bone.
x has_fused_element y iff: there exists some z : x has_part z, z homologous_to y, and y is a distinct element, the boundary between x and z is largely fiat
RO:0002374
uberon
has_fused_element
has_fused_element
A single bone in one species may correspond to the fusion of two or more bones found as distinct elements in another. For example, tibiofibula has_fused_element tibia. A has_fused_element B does not imply that A has_part some B, rather than A has_part some B', where B' is not a subtype of B (because B is a distinct element but B' is a regional part) but has some evolutionary relationship to B.
has_fused_element
RO:0002376
uberon
drains into
tributary_of
tributary_of
tributary_of
drains into
dbpowl:drainsTo
A lump of clay and a statue
x spatially_coextensive_with y if and inly if x and y have the same location
Chris Mungall
This relation is added for formal completeness. It is unlikely to be used in many practical scenarios
spatially coextensive with
we need to check if FMA branch_of implies part_of. the relation we intend to use here should - for example, see vestibulocochlear nerve
RO:0002380
uberon
branching_part_of
branching_part_of
branching_part_of
x has potential to developmentrally contribute to y iff x developmentally contributes to y or x is capable of developmentally contributing to y
RO:0002385
uberon
has_potential_to_developmentally_contribute_to
has_potential_to_developmentally_contribute_to
has potential to developmentally contribute to
x has the potential to develop into y iff x develops into y or if x is capable of developing into y
RO:0002387
uberon
has_potential_to_develop_into
has_potential_to_develop_into
has potential to develop into
inverse of upstream of
Chris Mungall
causally downstream of
Chris Mungall
immediately causally downstream of
This relation groups causal relations between material entities and causal relations between processes
This branch of the ontology deals with causal relations between entities. It is divided into two branches: causal relations between occurrents/processes, and causal relations between material entities. We take an 'activity flow-centric approach', with the former as primary, and define causal relations between material entities in terms of causal relations between occurrents.
To define causal relations in an activity-flow type network, we make use of 3 primitives:
* Temporal: how do the intervals of the two occurrents relate?
* Is the causal relation regulatory?
* Is the influence positive or negative
The first of these can be formalized in terms of the Allen Interval Algebra. Informally, the 3 bins we care about are 'direct', 'indirect' or overlapping. Note that all causal relations should be classified under a RO temporal relation (see the branch under 'temporally related to'). Note that all causal relations are temporal, but not all temporal relations are causal. Two occurrents can be related in time without being causally connected. We take causal influence to be primitive, elucidated as being such that has the upstream changed, some qualities of the donwstream would necessarily be modified.
For the second, we consider a relationship to be regulatory if the system in which the activities occur is capable of altering the relationship to achieve some objective. This could include changing the rate of production of a molecule.
For the third, we consider the effect of the upstream process on the output(s) of the downstream process. If the level of output is increased, or the rate of production of the output is increased, then the direction is increased. Direction can be positive, negative or neutral or capable of either direction. Two positives in succession yield a positive, two negatives in succession yield a positive, otherwise the default assumption is that the net effect is canceled and the influence is neutral.
Each of these 3 primitives can be composed to yield a cross-product of different relation types.
Chris Mungall
Do not use this relation directly. It is intended as a grouping for a diverse set of relations, all involving cause and effect.
causally related to
p is causally upstream of q if and only if p precedes q and p and q are linked in a causal chain
Chris Mungall
causally upstream of
p is immediately causally upstream of q iff both (a) p immediately precedes q and (b) p is causally upstream of q. In addition, the output of p must be an input of q.
Chris Mungall
immediately causally upstream of
p 'causally upstream or within' q iff (1) the end of p is before the end of q and (2) the execution of p exerts some causal influence over the outputs of q; i.e. if p was abolished or the outputs of p were to be modified, this would necessarily affect q.
We would like to make this disjoint with 'preceded by', but this is prohibited in OWL2
Chris Mungall
influences (processual)
affects
causally upstream of or within
inverse of causally upstream of or within
Chris Mungall
causally downstream of or within
c involved in regulation of p if c is involved in some p' and p' regulates some p
Chris Mungall
involved in regulation of
c involved in regulation of p if c is involved in some p' and p' positively regulates some p
Chris Mungall
involved in positive regulation of
c involved in regulation of p if c is involved in some p' and p' negatively regulates some p
Chris Mungall
involved in negative regulation of
c involved in or regulates p if and only if either (i) c is involved in p or (ii) c is involved in regulation of p
OWL does not allow defining object properties via a Union
Chris Mungall
involved in or reguates
involved in or involved in regulation of
A protein that enables activity in a cytosol.
c executes activity in d if and only if c enables p and p occurs_in d. Assuming no action at a distance by gene products, if a gene product enables (is capable of) a process that occurs in some structure, it must have at least some part in that structure.
Chris Mungall
executes activity in
enables activity in
is active in
true
c executes activity in d if and only if c enables p and p occurs_in d. Assuming no action at a distance by gene products, if a gene product enables (is capable of) a process that occurs in some structure, it must have at least some part in that structure.
GOC:cjm
GOC:dos
RO:0002433
uberon
contributes_to_morphology_of
contributes_to_morphology_of
contributes to morphology of
A relationship that holds between two entities in which the processes executed by the two entities are causally connected.
Considering relabeling as 'pairwise interacts with'
This relation and all sub-relations can be applied to either (1) pairs of entities that are interacting at any moment of time (2) populations or species of entity whose members have the disposition to interact (3) classes whose members have the disposition to interact.
Chris Mungall
Note that this relationship type, and sub-relationship types may be redundant with process terms from other ontologies. For example, the symbiotic relationship hierarchy parallels GO. The relations are provided as a convenient shortcut. Consider using the more expressive processual form to capture your data. In the future, these relations will be linked to their cognate processes through rules.
in pairwise interaction with
interacts with
http://purl.obolibrary.org/obo/MI_0914
https://github.com/oborel/obo-relations/wiki/InteractionRelations
An interaction relationship in which the two partners are molecular entities that directly physically interact with each other for example via a stable binding interaction or a brief interaction during which one modifies the other.
Chris Mungall
binds
molecularly binds with
molecularly interacts with
http://purl.obolibrary.org/obo/MI_0915
Axiomatization to GO to be added later
Chris Mungall
An interaction relation between x and y in which x catalyzes a reaction in which a phosphate group is added to y.
phosphorylates
The entity A, immediately upstream of the entity B, has an activity that regulates an activity performed by B. For example, A and B may be gene products and binding of B by A regulates the kinase activity of B.
A and B can be physically interacting but not necessarily. Immediately upstream means there are no intermediate entity between A and B.
Chris Mungall
Vasundra Touré
molecularly controls
directly regulates activity of
The entity A, immediately upstream of the entity B, has an activity that negatively regulates an activity performed by B.
For example, A and B may be gene products and binding of B by A negatively regulates the kinase activity of B.
Chris Mungall
Vasundra Touré
directly inhibits
molecularly decreases activity of
directly negatively regulates activity of
The entity A, immediately upstream of the entity B, has an activity that positively regulates an activity performed by B.
For example, A and B may be gene products and binding of B by A positively regulates the kinase activity of B.
Chris Mungall
Vasundra Touré
directly activates
molecularly increases activity of
directly positively regulates activity of
Chris Mungall
This property or its subproperties is not to be used directly. These properties exist as helper properties that are used to support OWL reasoning.
helper property (not for use in curation)
x composed_primarily_of y iff: more than half of the mass of x is made from parts of y
RO:0002473
uberon
RO:0002473
composed_primarily_of
composed_primarily_of
composed primarily of
p has part that occurs in c if and only if there exists some p1, such that p has_part p1, and p1 occurs in c.
Chris Mungall
has part that occurs in
true
Chris Mungall
is kinase activity
Chris Mungall
Do not use this relation directly. It is ended as a grouping for a diverse set of relations, typically connecting an anatomical entity to a biological process or developmental stage.
relation between physical entity and a process or stage
Relation between continuant c and occurrent s, such that every instance of c comes into existing during some s.
x existence starts during y if and only if the time point at which x starts is after or equivalent to the time point at which y starts and before or equivalent to the time point at which y ends. Formally: x existence starts during y iff α(x) >= α(y) & α(x) <= ω(y).
Chris Mungall
RO:0002488
begins_to_exist_during
uberon
RO:0002488
existence_starts_during
existence_starts_during
existence starts during
Relation between continuant c and occurrent s, such that every instance of c comes into existing during some s.
Relation between continuant and occurrent, such that c comes into existence at the start of p.
RO:0002489
uberon
existence_starts_with
existence_starts_with
existence starts with
Relation between continuant and occurrent, such that c comes into existence at the start of p.
x existence overlaps y if and only if either (a) the start of x is part of y or (b) the end of x is part of y. Formally: x existence starts and ends during y iff (α(x) >= α(y) & α(x) <= ω(y)) OR (ω(x) <= ω(y) & ω(x) >= α(y))
Chris Mungall
The relations here were created based on work originally by Fabian Neuhaus and David Osumi-Sutherland. The work has not yet been vetted and errors in definitions may have occurred during transcription.
existence overlaps
RO:0002491
uberon
existence_starts_and_ends_during
existence_starts_and_ends_during
existence starts and ends during
Relation between continuant c and occurrent s, such that every instance of c ceases to exist during some s, if it does not die prematurely.
RO:0002492
ceases_to_exist_during
uberon
RO:0002492
existence_ends_during
existence_ends_during
existence ends during
Relation between continuant c and occurrent s, such that every instance of c ceases to exist during some s, if it does not die prematurely.
Relation between continuant and occurrent, such that c ceases to exist at the end of p.
RO:0002493
uberon
existence_ends_with
existence_ends_with
existence ends with
Relation between continuant and occurrent, such that c ceases to exist at the end of p.
RO:0002494
transforms from
uberon
transformation_of
transformation_of
transformation of
transforms from
SIO:000657
RO:0002495
direct_transformation_of
immediately transforms from
uberon
immediate_transformation_of
immediate_transformation_of
immediate transformation of
direct_transformation_of
immediately transforms from
SIO:000658
x existence starts during or after y if and only if the time point at which x starts is after or equivalent to the time point at which y starts. Formally: x existence starts during or after y iff α (x) >= α (y).
Chris Mungall
RO:0002496
uberon
existence_starts_during_or_after
existence_starts_during_or_after
The relations here were created based on work originally by Fabian Neuhaus and David Osumi-Sutherland. The work has not yet been vetted and errors in definitions may have occurred during transcription.
existence starts during or after
RO:0002497
uberon
existence_ends_during_or_before
existence_ends_during_or_before
existence ends during or before
A relationship between a material entity and a process where the material entity has some causal role that influences the process
causal agent in process
p is causally related to q if and only if p or any part of p and q or any part of q are linked by a chain of events where each event pair is one of direct activation or direct inhibition. p may be upstream, downstream, part of or a container of q.
Chris Mungall
Do not use this relation directly. It is intended as a grouping for a diverse set of relations, all involving cause and effect.
causal relation between processes
Chris Mungall
depends on
q towards e2 if and only if q is a relational quality such that q inheres-in some e, and e != e2 and q is dependent on e2
This relation is provided in order to support the use of relational qualities such as 'concentration of'; for example, the concentration of C in V is a quality that inheres in V, but pertains to C.
Chris Mungall
RO:0002503
towards
towards
towards
The intent is that the process branch of the causal property hierarchy is primary (causal relations hold between occurrents/processes), and that the material branch is defined in terms of the process branch
Chris Mungall
Do not use this relation directly. It is intended as a grouping for a diverse set of relations, all involving cause and effect.
causal relation between entities
A relation between a subdivision of an organism and the single subdivision of skeleton that provides structural support for that subdivision.
RO:0002551
uberon
has sekeletal support
has supporting framework
has_skeleton
has_skeleton
has skeleton
A relation between a subdivision of an organism and the single subdivision of skeleton that provides structural support for that subdivision.
Chris Mungall
causally influenced by (entity-centric)
causally influenced by
Chris Mungall
interaction relation helper property
https://github.com/oborel/obo-relations/wiki/InteractionRelations
Chris Mungall
molecular interaction relation helper property
The entity or characteristic A is causally upstream of the entity or characteristic B, A having an effect on B. An entity corresponds to any biological type of entity as long as a mass is measurable. A characteristic corresponds to a particular specificity of an entity (e.g., phenotype, shape, size).
Chris Mungall
Vasundra Touré
causally influences (entity-centric)
causally influences
A relation that holds between elements of a musculoskeletal system or its analogs.
Chris Mungall
Do not use this relation directly. It is ended as a grouping for a diverse set of relations, all involving the biomechanical processes.
biomechanically related to
m1 has_muscle_antagonist m2 iff m1 acts in opposition to m2, and m2 is responsible for returning the structure to its initial position.
RO:0002568
uberon
has_muscle_antagonist
has_muscle_antagonist
has_muscle_antagonist
m1 has_muscle_antagonist m2 iff m1 acts in opposition to m2, and m2 is responsible for returning the structure to its initial position.
RO:0002569
uberon
has_branching_part
has_branching_part
has branching part
RO:0002571
uberon
lumen_of
lumen_of
lumen of
RO:0002572
uberon
luminal_space_of
luminal_space_of
luminal space of
A relation that holds between an attribute or a qualifier and another attribute.
Chris Mungall
This relation is intended to be used in combination with PATO, to be able to refine PATO quality classes using modifiers such as 'abnormal' and 'normal'. It has yet to be formally aligned into an ontological framework; it's not clear what the ontological status of the "modifiers" are.
RO:0002180
qualifier
qualifier
placeholder relation to indicate normality/abnormality.
has modifier
RO:0002576
uberon
skeleton_of
skeleton_of
skeleton of
Process(P1) directly regulates process(P2) iff: P1 regulates P2 via direct physical interaction between an agent executing P1 (or some part of P1) and an agent executing P2 (or some part of P2). For example, if protein A has protein binding activity(P1) that targets protein B and this binding regulates the kinase activity (P2) of protein B then P1 directly regulates P2.
Chris Mungall
directly regulates (processual)
directly regulates
gland SubClassOf 'has part structure that is capable of' some 'secretion by cell'
s 'has part structure that is capable of' p if and only if there exists some part x such that s 'has part' x and x 'capable of' p
Chris Mungall
has part structure that is capable of
A relationship that holds between a material entity and a process in which causality is involved, with either the material entity or some part of the material entity exerting some influence over the process, or the process influencing some aspect of the material entity.
Do not use this relation directly. It is intended as a grouping for a diverse set of relations, all involving cause and effect.
Chris Mungall
causal relation between material entity and a process
pyrethroid -> growth
Holds between c and p if and only if c is capable of some activity a, and a regulates p.
capable of regulating
Holds between c and p if and only if c is capable of some activity a, and a negatively regulates p.
capable of negatively regulating
renin -> arteriolar smooth muscle contraction
Holds between c and p if and only if c is capable of some activity a, and a positively regulates p.
capable of positively regulating
Inverse of 'causal agent in process'
process has causal agent
Process(P1) directly postively regulates process(P2) iff: P1 positively regulates P2 via direct physical interaction between an agent executing P1 (or some part of P1) and an agent executing P2 (or some part of P2). For example, if protein A has protein binding activity(P1) that targets protein B and this binding positively regulates the kinase activity (P2) of protein B then P1 directly positively regulates P2.
directly positively regulates (process to process)
directly positively regulates
Process(P1) directly negatively regulates process(P2) iff: P1 negatively regulates P2 via direct physical interaction between an agent executing P1 (or some part of P1) and an agent executing P2 (or some part of P2). For example, if protein A has protein binding activity(P1) that targets protein B and this binding negatively regulates the kinase activity (P2) of protein B then P1 directly negatively regulates P2.
directly negatively regulates (process to process)
directly negatively regulates
a produces b if some process that occurs_in a has_output b, where a and b are material entities. Examples: hybridoma cell line produces monoclonal antibody reagent; chondroblast produces avascular GAG-rich matrix.
Melissa Haendel
RO:0003000
uberon
produces
produces
Note that this definition doesn't quite distinguish the output of a transformation process from a production process, which is related to the identity/granularity issue.
produces
produces
a produced_by b iff some process that occurs_in b has_output a.
Melissa Haendel
RO:0003001
uberon
produced_by
produced_by
produced by
produced_by
Holds between an entity and an process P where the entity enables some larger compound process, and that larger process has-part P.
cjm
2018-01-25T23:20:13Z
enables subfunction
cjm
2018-01-26T23:49:30Z
acts upstream of or within, positive effect
cjm
2018-01-26T23:49:51Z
acts upstream of or within, negative effect
c 'acts upstream of, positive effect' p if c is enables f, and f is causally upstream of p, and the direction of f is positive
cjm
2018-01-26T23:53:14Z
acts upstream of, positive effect
c 'acts upstream of, negative effect' p if c is enables f, and f is causally upstream of p, and the direction of f is negative
cjm
2018-01-26T23:53:22Z
acts upstream of, negative effect
cjm
2018-03-13T23:55:05Z
causally upstream of or within, negative effect
cjm
2018-03-13T23:55:19Z
causally upstream of or within, positive effect
The entity A has an activity that regulates an activity of the entity B. For example, A and B are gene products where the catalytic activity of A regulates the kinase activity of B.
Vasundra Touré
regulates activity of
chebi_ontology
has_functional_parent
false
false
has functional parent
chebi_ontology
has_parent_hydride
false
false
has parent hydride
chebi_ontology
is_conjugate_acid_of
true
false
is conjugate acid of
chebi_ontology
is_conjugate_base_of
true
false
is conjugate base of
chebi_ontology
is_enantiomer_of
true
false
is enantiomer of
chebi_ontology
is_substituent_group_from
false
false
is substituent group from
chebi_ontology
is_tautomer_of
true
is tautomer of
by_means
has-input
has_participant
qualifier
q1 decreased_in_magnitude_relative_to q2 if and only if magnitude(q1) < magnitude(q2). Here, magnitude(q) is a function that maps a quality to a unit-invariant scale.
quality
decreased_in_magnitude_relative_to
This relation is used to determine the 'directionality' of relative qualities such as 'decreased strength', relative to the parent type, 'strength'.
decreased_in_magnitude_relative_to
q1 decreased_in_magnitude_relative_to q2 if and only if magnitude(q1) < magnitude(q2). Here, magnitude(q) is a function that maps a quality to a unit-invariant scale.
PATOC:CJM
q1 different_in_magnitude_relative_to q2 if and only if magnitude(q1) NOT =~ magnitude(q2). Here, magnitude(q) is a function that maps a quality to a unit-invariant scale.
quality
different_in_magnitude_relative_to
different_in_magnitude_relative_to
q1 different_in_magnitude_relative_to q2 if and only if magnitude(q1) NOT =~ magnitude(q2). Here, magnitude(q) is a function that maps a quality to a unit-invariant scale.
PATOC:CJM
s3 has_cross_section s3 if and only if : there exists some 2d plane that intersects the bearer of s3, and the impression of s3 upon that plane has shape quality s2.
quality
has_cross_section
Example: a spherical object has the quality of being spherical, and the spherical quality has_cross_section round.
has_cross_section
s3 has_cross_section s3 if and only if : there exists some 2d plane that intersects the bearer of s3, and the impression of s3 upon that plane has shape quality s2.
PATOC:CJM
q1 increased_in_magnitude_relative_to q2 if and only if magnitude(q1) > magnitude(q2). Here, magnitude(q) is a function that maps a quality to a unit-invariant scale.
quality
increased_in_magnitude_relative_to
This relation is used to determine the 'directionality' of relative qualities such as 'increased strength', relative to the parent type, 'strength'.
increased_in_magnitude_relative_to
q1 increased_in_magnitude_relative_to q2 if and only if magnitude(q1) > magnitude(q2). Here, magnitude(q) is a function that maps a quality to a unit-invariant scale.
PATOC:CJM
q1 reciprocal_of q2 if and only if : q1 and q2 are relational qualities and a phenotype e q1 e2 mutually implies a phenotype e2 q2 e.
quality
reciprocal_of
There are frequently two ways to state the same thing: we can say 'spermatocyte lacks asters' or 'asters absent from spermatocyte'. In this case the quality is 'lacking all parts of type' - it is a (relational) quality of the spermatocyte, and it is with respect to instances of 'aster'. One of the popular requirements of PATO is that it continue to support 'absent', so we need to relate statements which use this quality to the 'lacking all parts of type' quality.
reciprocal_of
q1 reciprocal_of q2 if and only if : q1 and q2 are relational qualities and a phenotype e q1 e2 mutually implies a phenotype e2 q2 e.
PATOC:CJM
quality
towards
Relation binding a relational quality or disposition to the relevant type of entity.
towards
protein
has_gene_template
false
has_gene_template
x anteriorly_connected_to y iff the anterior part of x is connected to y. i.e. x connected_to y and x posterior_to y.
uberon
anteriorly_connected_to
anteriorly connected to
x anteriorly_connected_to y iff the anterior part of x is connected to y. i.e. x connected_to y and x posterior_to y.
carries
uberon
channel_for
channel for
uberon
channels_from
channels_from
uberon
channels_into
channels_into
x is a conduit for y iff y passes through the lumen of x.
uberon
conduit_for
conduit for
x distally_connected_to y iff the distal part of x is connected to y. i.e. x connected_to y and x proximal_to y.
uberon
distally_connected_to
distally connected to
x distally_connected_to y iff the distal part of x is connected to y. i.e. x connected_to y and x proximal_to y.
uberon
extends_fibers_into
extends_fibers_into
Relationship between a fluid and a material entity, where the fluid is the output of a realization of a filtration role that inheres in the material entity.
uberon
filtered_through
Relationship between a fluid and a filtration barrier, where the portion of fluid arises as a transformation of another portion of fluid on the other side of the barrier, with larger particles removed
filtered through
X in_central_side Y <=> if Y is subdivided into left and right portions around some median divisor, all parts of X are closer to the median divisor than the outermost lateral sides.
uberon
in_central_side_of
in_central_side_of
https://github.com/obophenotype/uberon/wiki/Modeling-paired-structures-Design-Pattern
X in_central_side Y <=> if Y is subdivided into left and right portions around some median divisor, all parts of X are closer to the median divisor than the outermost lateral sides.
BSPO:cjm
uberon
in_innermost_side_of
in_innermost_side_of
uberon
in_outermost_side_of
in_outermost_side_of
a indirectly_supplies s iff a has a branch and the branch supplies or indirectly supplies s
add to RO
uberon
indirectly_supplies
indirectly_supplies
uberon
layer_part_of
layer part of
x posteriorly_connected_to y iff the posterior part of x is connected to y. i.e. x connected_to y and x anterior_to y.
uberon
posteriorly_connected_to
posteriorly connected to
x posteriorly_connected_to y iff the posterior part of x is connected to y. i.e. x connected_to y and x anterior_to y.
uberon
protects
protects
x proximally_connected_to y iff the proximal part of x is connected to y. i.e. x connected_to y and x distal_to y.
uberon
proximally_connected_to
proximally connected to
x proximally_connected_to y iff the proximal part of x is connected to y. i.e. x connected_to y and x distal_to y.
uberon
sexually_homologous_to
sexually_homologous_to
uberon
subdivision_of
placeholder relation. X = 'subdivision of A' and subdivision_of some B means that X is the mereological sum of A and B
subdivision of
.
uberon
transitively_anteriorly_connected_to
transitively anteriorly connected to
.
uberon
transitively_connected_to
transitively_connected to
.
uberon
transitively_distally_connected_to
transitively distally connected to
.
.
uberon
transitively_proximally_connected_to
transitively proximally connected to
.
uberon
trunk_part_of
trunk_part_of
An entity that exists in full at any time in which it exists at all, persists through time while maintaining its identity and has no temporal parts.
continuant
An entity that has temporal parts and that happens, unfolds or develops through time.
occurrent
A continuant that is a bearer of quality and realizable entity entities, in which other entities inhere and which itself cannot inhere in anything.
independent continuant
spatial region
An occurrent that has temporal proper parts and for some time t, p s-depends_on some material entity at t.
process
A specifically dependent continuant that inheres in continuant entities and are not exhibited in full at every time in which it inheres in an entity or group of entities. The exhibition or actualization of a realizable entity is a particular manifestation, functioning or process that occurs under certain circumstances.
realizable entity
bfo
BFO:0000019
quality
quality
A continuant that inheres in or is borne by other entities. Every instance of A requires some specific instance of B which must always be the same.
specifically dependent continuant
A realizable entity the manifestation of which brings about some result or end that is not essential to a continuant in virtue of the kind of thing that it is but that can be served or participated in by that kind of continuant in some kinds of natural, social or institutional contexts.
role
bfo
BFO:0000030
object
An independent continuant that is spatially extended whose identity is independent of that of other entities and can be maintained through time.
bfo
BFO:0000040
material entity
material entity
immaterial entity
anatomical entity
connected anatomical structure
material anatomical entity
immaterial anatomical entity
biological entity
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.
-1
0.000548579903
0.0
KEGG:C05359
PMID:21614077
Wikipedia:Electron
electron
chebi_ontology
Elektron
beta
beta(-)
beta-particle
e
e(-)
e-
negatron
CHEBI:10545
electron
PMID:21614077
Europe PMC
electron
ChEBI
electron
IUPAC
electron
KEGG_COMPOUND
Elektron
ChEBI
beta
IUPAC
beta(-)
ChEBI
beta-particle
IUPAC
e
IUPAC
e(-)
UniProt
e-
KEGG_COMPOUND
negatron
IUPAC
A dicarboxylic acid dianion resulting from the removal of a proton from both of the carboxylic acid groups of 2-hydroxyglutaric acid.
-2
C5H6O5
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
HWXBTNAVRSUOJR-UHFFFAOYSA-L
146.09814
146.02262
OC(CCC([O-])=O)C([O-])=O
Beilstein:5736650
MetaCyc:2-HYDROXYGLUTARIC_ACID
Reaxys:5736650
2-hydroxypentanedioate
chebi_ontology
2-hydroxyglutarate
CHEBI:11596
2-hydroxyglutarate(2-)
Beilstein:5736650
Beilstein
Reaxys:5736650
Reaxys
2-hydroxypentanedioate
IUPAC
2-hydroxyglutarate
UniProt
The conjugate base of gamma-amino-beta-hydroxybutyric acid arising from deprotonation of the carboxy group.
-1
C4H8NO3
InChI=1S/C4H9NO3/c5-2-3(6)1-4(7)8/h3,6H,1-2,5H2,(H,7,8)/p-1
YQGDEPYYFWUPGO-UHFFFAOYSA-M
118.11126
118.05097
NCC(O)CC([O-])=O
CAS:352-21-6
KEGG:C03678
4-Amino-3-hydroxybutanoate
chebi_ontology
CHEBI:11955
4-amino-3-hydroxybutanoate
CAS:352-21-6
KEGG COMPOUND
KEGG:C03678
ChEBI
4-Amino-3-hydroxybutanoate
KEGG_COMPOUND
-1
C5H8NO3
InChI=1S/C5H9NO3/c6-3-4(7)1-2-5(8)9/h1-3,6H2,(H,8,9)/p-1
ZGXJTSGNIOSYLO-UHFFFAOYSA-M
130.12196
130.05097
NCC(=O)CCC([O-])=O
Beilstein:3937762
5-amino-4-oxopentanoate
chebi_ontology
CHEBI:12109
5-aminolevulinate
Beilstein:3937762
Beilstein
5-amino-4-oxopentanoate
IUPAC
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.
Wikipedia:Vitamin_A
chebi_ontology
CHEBI:12777
vitamin A
Any steroid substituted by a formyl group.
chebi_ontology
steroid aldehydes
CHEBI:131565
steroid aldehyde
steroid aldehydes
ChEBI
Any bacterial metabolite produced during a metabolic reaction in Mycoplasma genitalium.
chebi_ontology
Mycoplasma genitalium metabolites
CHEBI:131604
Mycoplasma genitalium metabolite
Mycoplasma genitalium metabolites
ChEBI
A steroid compound with a structure based on a 27-carbon (cholestane) skeleton.
chebi_ontology
C27-steroids
CHEBI:131619
C27-steroid
C27-steroids
ChEBI
A steroid compound with a structure based on a 19-carbon (androstane) skeleton.
chebi_ontology
C19-steroids
CHEBI:131621
C19-steroid
C19-steroids
ChEBI
A class of carbonyl compound encompassing dicarboxylic acids and any derivatives obtained by substitution of either one or both of the carboxy hydrogens.
chebi_ontology
dicarboxylic acids and derivatives
CHEBI:131927
dicarboxylic acids and O-substituted derivatives
dicarboxylic acids and derivatives
ChEBI
A naphthoquinone in which the oxo groups of the quinone moiety are at positions 1 and 4 of the parent naphthalene ring.
chebi_ontology
CHEBI:132142
1,4-naphthoquinones
A citrate anion obtained by deprotonation of the three carboxy groups as well as the hydroxy group of citric acid.
-4
C6H4O7
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
KSXLKRAZYZIYCZ-UHFFFAOYSA-K
188.092
187.99790
C(=O)([O-])C(CC(=O)[O-])(CC(=O)[O-])[O-]
Chemspider:34552020
2-oxidopropane-1,2,3-tricarboxylate
chebi_ontology
2-oxido-1,2,3-propanetricarboxylate
citric acid tetraanion
CHEBI:132362
citrate(4-)
2-oxidopropane-1,2,3-tricarboxylate
IUPAC
2-oxido-1,2,3-propanetricarboxylate
ChEBI
citric acid tetraanion
ChEBI
A dicarboxylic acid anion obtained by deprotonation of at least one of the carboxy groups of ethylmalonic acid.
chebi_ontology
ethylmalonate anion
ethylmalonic acid anion
CHEBI:132938
ethylmalonate
ethylmalonate anion
ChEBI
ethylmalonic acid anion
ChEBI
A dicarboxylic acid dianion resulting from the removal of a proton from both of the carboxylic acid groups of ethylmalonic acid.
-2
C5H6O4
InChI=1S/C5H8O4/c1-2-3(4(6)7)5(8)9/h3H,2H2,1H3,(H,6,7)(H,8,9)/p-2
UKFXDFUAPNAMPJ-UHFFFAOYSA-L
130.099
130.02771
[O-]C(C(C(=O)[O-])CC)=O
Reaxys:3904851
ethylpropanedioate
chebi_ontology
CHEBI:132939
ethylmalonate(2-)
Reaxys:3904851
Reaxys
ethylpropanedioate
IUPAC
A dicarboxylic acid anion obtained by deprotonation of at least one of the carboxy groups of 2-hydroxyglutaric acid.
chebi_ontology
2-hydroxyglutarate anion
2-hydroxyglutaric acid anion
CHEBI:132941
2-hydroxyglutarate
2-hydroxyglutarate anion
ChEBI
2-hydroxyglutaric acid anion
ChEBI
chebi_ontology
CHEBI:132943
aspartate
A dicarboxylic acid anion obtained by deprotonation of at least one of the carboxy groups of oxalic acid.
chebi_ontology
ethanedioic acid anion
ethanedioic acid anions
oxalate anion
oxalate anions
oxalates
oxalic acid anion
oxalic acid anions
CHEBI:132952
oxalate
ethanedioic acid anion
ChEBI
ethanedioic acid anions
ChEBI
oxalate anion
ChEBI
oxalate anions
ChEBI
oxalates
ChEBI
oxalic acid anion
ChEBI
oxalic acid anions
ChEBI
A dicarboxylic acid anion obtained by deprotonation of at least one of the carboxy groups of sebacic acid.
chebi_ontology
decanedioic acid anion
decanedioic acid anions
sebacate anion
sebacate anions
sebacates
sebacic acid anion
sebacic acid anions
CHEBI:132954
sebacate
decanedioic acid anion
ChEBI
decanedioic acid anions
ChEBI
sebacate anion
ChEBI
sebacate anions
ChEBI
sebacates
ChEBI
sebacic acid anion
ChEBI
sebacic acid anions
ChEBI
A dicarboxylic acid anion obtained by deprotonation of at least one of the carboxy groups of 3-methylsuccinic acid.
chebi_ontology
2-methylbutanedioic acid anion
2-methylbutanedioic acid anions
methylsuccinate anion
methylsuccinates
methylsuccinic acid anion
methylsuccinic acid anions
CHEBI:132961
methylsuccinate
2-methylbutanedioic acid anion
ChEBI
2-methylbutanedioic acid anions
ChEBI
methylsuccinate anion
ChEBI
methylsuccinates
ChEBI
methylsuccinic acid anion
ChEBI
methylsuccinic acid anions
ChEBI
An N-acylglycinate obtained by deprotonation of the carboxy group of hippuric acid (N-benzoylglycine) and its derivatives.
chebi_ontology
N-benzoylglycinate
N-benzoylglycinates
N-benzoylglycine anion
N-benzoylglycine anions
hippurates
CHEBI:132966
hippurate
N-benzoylglycinate
ChEBI
N-benzoylglycinates
ChEBI
N-benzoylglycine anion
ChEBI
N-benzoylglycine anions
ChEBI
hippurates
ChEBI
A primary ammonium ion obtained by protonation of the amino group of 5-aminolevulinic acid.
+1
C5H10NO3
InChI=1S/C5H9NO3/c6-3-4(7)1-2-5(8)9/h1-3,6H2,(H,8,9)/p+1
ZGXJTSGNIOSYLO-UHFFFAOYSA-O
132.138
132.06552
C(C(=O)C[NH3+])CC(=O)O
4-carboxy-2-oxobutan-1-aminium
chebi_ontology
5-aminolevulinic acid cation
5-aminolevulinic acid(1+)
CHEBI:132970
5-ammoniolevulinic acid
4-carboxy-2-oxobutan-1-aminium
IUPAC
5-aminolevulinic acid cation
ChEBI
5-aminolevulinic acid(1+)
ChEBI
A dicarboxylic acid dianion that results from the removal of a proton from both of the carboxylic acid groups of any 3-hydroxydicarboxylic acid.
-2
C4H4O5R
132.072
132.00587
C(*C(CC(=O)[O-])O)([O-])=O
chebi_ontology
3-hydroxydicarboxylic acid dianion(2-)
a 3-hydroxy dicarboxylic acid
CHEBI:133251
3-hydroxydicarboxylate(2-)
3-hydroxydicarboxylic acid dianion(2-)
SUBMITTER
a 3-hydroxy dicarboxylic acid
UniProt
A carboxylic acid dianion obtained by deprotonation of both carboxy groups of any dicarboxylic acid that contains no carbon-carbon double bonds.
-2
C2O4R
88.019
87.97966
[O-]C(*C([O-])=O)=O
chebi_ontology
a saturated dicarboxylic acid
saturated dicarboxylate(2-)
CHEBI:133291
saturated dicarboxylic acid dianion(2-)
a saturated dicarboxylic acid
UniProt
saturated dicarboxylate(2-)
SUBMITTER
A dicarboxylic acid dianion obtained by deprotonation of both carboxy groups of any oxo dicarboxylic acid.
chebi_ontology
oxo dicarboxylic acid
CHEBI:133294
oxo dicarboxylic acid dianion
oxo dicarboxylic acid
UniProt
A monocarboxylic acid anion that is the conjugate base of N-hexanoylglycine, obtained by deprotonation of the carboxy group; major species at pH 7.3.
-1
C8H14NO3
InChI=1S/C8H15NO3/c1-2-3-4-5-7(10)9-6-8(11)12/h2-6H2,1H3,(H,9,10)(H,11,12)/p-1
UPCKIPHSXMXJOX-UHFFFAOYSA-M
172.202
172.09792
N(CC([O-])=O)C(CCCCC)=O
(hexanoylamino)acetate
chebi_ontology
N-caproylglycinate
N-hexanoylglycine
N-hexanoylglycine anion
N-hexanoylglycine(1-)
CHEBI:133580
N-hexanoylglycinate
(hexanoylamino)acetate
IUPAC
N-caproylglycinate
ChEBI
N-hexanoylglycine
UniProt
N-hexanoylglycine anion
ChEBI
N-hexanoylglycine(1-)
ChEBI
An alpha-amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of 1-methylhistidine; major species at pH 7.3.
0
C7H11N3O2
InChI=1S/C7H11N3O2/c1-10-3-5(9-4-10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)
BRMWTNUJHUMWMS-UHFFFAOYSA-N
169.181
169.08513
[O-]C(=O)C([NH3+])CC=1N=CN(C1)C
2-azaniumyl-3-(1-methyl-1H-imidazol-4-yl)propanoate
chebi_ontology
CHEBI:133608
1-methylhistidine zwitterion
2-azaniumyl-3-(1-methyl-1H-imidazol-4-yl)propanoate
IUPAC
An alpha-amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of 3-methylhistidine; major species at pH 7.3.
0
C7H11N3O2
InChI=1S/C7H11N3O2/c1-10-4-9-3-5(10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)
JDHILDINMRGULE-UHFFFAOYSA-N
169.181
169.08513
[O-]C(=O)C([NH3+])CC=1N(C=NC1)C
2-azaniumyl-3-(1-methyl-1H-imidazol-5-yl)propanoate
chebi_ontology
CHEBI:133609
3-methylhistidine zwitterion
2-azaniumyl-3-(1-methyl-1H-imidazol-5-yl)propanoate
IUPAC
A monocarboxylic acid anion that is the conjugate base of N-isobutyrylglycine, obtained by deprotonation of the carboxy group; major species at pH 7.3.
-1
C6H10NO3
InChI=1S/C6H11NO3/c1-4(2)6(10)7-3-5(8)9/h4H,3H2,1-2H3,(H,7,10)(H,8,9)/p-1
DCICDMMXFIELDF-UHFFFAOYSA-M
144.149
144.06662
C(CNC(=O)C(C)C)(=O)[O-]
HMDB:HMDB0000730
(2-methylpropanamido)acetate
chebi_ontology
N-(2-methylpropanoyl)glycinate
N-isobutanoylglycinate
isobutanoylglycinate
isobutyrylglycinate
CHEBI:133610
N-isobutyrylglycinate
(2-methylpropanamido)acetate
IUPAC
N-(2-methylpropanoyl)glycinate
ChEBI
N-isobutanoylglycinate
ChEBI
isobutanoylglycinate
ChEBI
isobutyrylglycinate
ChEBI
A hydroxy monocarboxylic acid anion which is obtained by deprotonation of the carboxy group of homovanillic acid.
-1
C9H9O4
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
QRMZSPFSDQBLIX-UHFFFAOYSA-M
181.166
181.05063
C1=C(C(=CC(=C1)CC([O-])=O)OC)O
(4-hydroxy-3-methoxyphenyl)acetate
chebi_ontology
3-methoxy-4-hydroxyphenylacetate
CHEBI:133744
homovanillate
(4-hydroxy-3-methoxyphenyl)acetate
IUPAC
3-methoxy-4-hydroxyphenylacetate
ChEBI
A tricarboxylic acid anion obtained by deprotonation of at least one of the carboxy groups of citric acid.
chebi_ontology
citrate
citrate anions
CHEBI:133748
citrate anion
citrate
ChEBI
citrate anions
ChEBI
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.
Wikipedia:Volatile_organic_compound
chebi_ontology
VOC
VOCs
volatile organic compounds
CHEBI:134179
volatile organic compound
VOC
ChEBI
VOCs
ChEBI
volatile organic compounds
ChEBI
An alkanesulfonate in which the carbon at position 1 is attached to R, which can represent hydrogens, a carbon chain, or other groups.
-1
CH2O3SR
94.091
93.97246
C(S([O-])(=O)=O)*
CHEBI:22318
MetaCyc:Alkanesulfonates
chebi_ontology
alkanesulfonate oxoanions
alkanesulfonates
an alkanesulfonate
CHEBI:134249
alkanesulfonate oxoanion
alkanesulfonate oxoanions
ChEBI
alkanesulfonates
ChEBI
an alkanesulfonate
UniProt
Any phenol carrying an additional methoxy substituent at the ortho-position.
0
C7H4O2R4
120.106
120.02113
C1(=C(C(=C(C(=C1*)*)*)OC)O)*
CHEBI:13645
MetaCyc:Guaiacols
chebi_ontology
1-hydroxy-2-methoxybenzenes
2-methoxyphenol
2-methoxyphenol derivative
2-methoxyphenol derivatives
2-methoxyphenols
a guaiacol
catechol monomethyl ether
catechol monomethyl ethers
o-methoxyphenol
o-methoxyphenols
ortho-methoxyphenol
ortho-methoxyphenols
CHEBI:134251
guaiacols
1-hydroxy-2-methoxybenzenes
ChEBI
2-methoxyphenol
ChEBI
2-methoxyphenol derivative
SUBMITTER
2-methoxyphenol derivatives
ChEBI
2-methoxyphenols
ChEBI
a guaiacol
UniProt
catechol monomethyl ether
ChEBI
catechol monomethyl ethers
ChEBI
o-methoxyphenol
ChEBI
o-methoxyphenols
ChEBI
ortho-methoxyphenol
ChEBI
ortho-methoxyphenols
ChEBI
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.).
0
C3HOR5
53.040
53.00274
C(C(=C(*)*)*)(O)(*)*
chebi_ontology
allylic alcohols
CHEBI:134361
allylic alcohol
allylic alcohols
ChEBI
An allylic alcohol in which the carbon atom that links the double bond to the hydroxy group is also attached to two hydrogens.
0
C3H3OR3
55.055
55.01839
C(C(=C(*)*)*)(O)([H])[H]
chebi_ontology
primary allylic alcohols
CHEBI:134394
primary allylic alcohol
primary allylic alcohols
ChEBI
A diol in which the two hydroxy groups are on different carbon atoms, usually but not necessarily adjacent.
glycols
chebi_ontology
Glykol
CHEBI:13643
glycol
glycols
IUPAC
Glykol
ChEBI
An organic group derived from any 3-oxo-Delta(4)-steroid.
0
C6H6O
94.111
94.04186
C1=C(C*)*C(CC1=O)*
chebi_ontology
a 3-oxo-Delta4-steroid group
CHEBI:136849
3-oxo-Delta(4)-steroid group
a 3-oxo-Delta4-steroid group
UniProt
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.
PMID:26449612
chebi_ontology
pro-agents
proagent
proagents
CHEBI:136859
pro-agent
PMID:26449612
Europe PMC
pro-agents
ChEBI
proagent
ChEBI
proagents
ChEBI
Any steroid that has beta-configuration at position 5.
chebi_ontology
5beta steroids
5beta-steroid
5beta-steroids
CHEBI:136889
5beta steroid
5beta steroids
ChEBI
5beta-steroid
ChEBI
5beta-steroids
ChEBI
chebi_ontology
methylhistidines
CHEBI:137682
methylhistidine
methylhistidines
ChEBI
An organic cation obtained by protonation of the amino group of any tertiary amino compound.
+1
HNR3
15.015
15.01090
[NH+](*)(*)*
chebi_ontology
a tertiary amine
tertiary amine(1+)
tertiary ammonium ions
CHEBI:137982
tertiary ammonium ion
a tertiary amine
UniProt
tertiary amine(1+)
ChEBI
tertiary ammonium ions
ChEBI
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.
Wikipedia:Mineral_acid
chebi_ontology
inorganic acids
mineral acid
mineral acids
CHEBI:138103
inorganic acid
inorganic acids
ChEBI
mineral acid
ChEBI
mineral acids
ChEBI
Any sterol containing two double bonds between positions 5-6 and 7-8.
0
C19H27OR
271.418
271.20619
C12C(C3C(C(CC3)*)(C)CC1)=CC=C4C2(CCC(C4)O)C
MetaCyc:Delta5-Delta7-Steroids
chebi_ontology
a Delta(5),Delta(7)-sterol
CHEBI:138131
Delta(5),Delta(7)-sterol
a Delta(5),Delta(7)-sterol
UniProt
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.
0
C21H36O
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
JSIVWCLRCGAVHN-ILZKQPLKSA-N
304.511
304.27662
C1CCCC2C1(C3C(CC2)C4C(CC3)([C@](CC4)(CC)O)C)C
MetaCyc:17a-hydroxy-C21-steroids
chebi_ontology
a 17alpha-hydroxy-C21-steroid
CHEBI:138141
17alpha-hydroxy-C21-steroid
MetaCyc:17a-hydroxy-C21-steroids
SUBMITTER
a 17alpha-hydroxy-C21-steroid
UniProt
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.
chebi_ontology
CHEBI:138366
bile acids
An apoprotein is a protein devoid of its characteristic prosthetic group or metal.
KEGG:C16240
apoprotein
chebi_ontology
apoproteins
CHEBI:13850
apoprotein
apoprotein
IUPAC
apoproteins
ChEBI
Any main group molecular entity that is gaseous at standard temperature and pressure (STP; 0degreeC and 100 kPa).
Wikipedia:https://en.wikipedia.org/wiki/Gas
chebi_ontology
gas molecular entities
gaseous molecular entities
gaseous molecular entity
CHEBI:138675
gas molecular entity
gas molecular entities
ChEBI
gaseous molecular entities
ChEBI
gaseous molecular entity
ChEBI
-1
CH2NO2
InChI=1S/CH3NO2/c2-1(3)4/h2H2,(H,3,4)/p-1
KXDHJXZQYSOELW-UHFFFAOYSA-M
60.03212
60.00910
NC([O-])=O
Beilstein:3903503
CAS:302-11-4
Gmelin:239604
carbamate
chebi_ontology
Carbamat
Karbamat
carbamate ion
carbamic acid, ion(1-)
CHEBI:13941
carbamate
Beilstein:3903503
Beilstein
CAS:302-11-4
ChemIDplus
Gmelin:239604
Gmelin
carbamate
IUPAC
carbamate
UniProt
Carbamat
ChEBI
Karbamat
ChEBI
carbamate ion
ChemIDplus
carbamic acid, ion(1-)
ChemIDplus
An alpha-oxyketone that has a hydroxy group as the alpha-oxy moiety.
PMID:15326516
PMID:19908854
PMID:20382022
PMID:23295224
chebi_ontology
alpha-hydroxy ketones
alpha-hydroxy-ketone
alpha-hydroxy-ketones
alpha-hydroxyketone
alpha-hydroxyketones
CHEBI:139588
alpha-hydroxy ketone
PMID:15326516
Europe PMC
PMID:19908854
Europe PMC
PMID:20382022
Europe PMC
PMID:23295224
Europe PMC
alpha-hydroxy ketones
ChEBI
alpha-hydroxy-ketone
ChEBI
alpha-hydroxy-ketones
ChEBI
alpha-hydroxyketone
ChEBI
alpha-hydroxyketones
ChEBI
A carboxylic acid anion obtained by deprotonation of any retinoid carboxy group.
chebi_ontology
retinoate
retinoates
retinoid anions
retinoid carboxylate anion
retinoid carboxylate anions
retinoid carboxylic acid anion
retinoid carboxylic acid anions
CHEBI:139589
retinoid anion
retinoate
ChEBI
retinoates
ChEBI
retinoid anions
ChEBI
retinoid carboxylate anion
ChEBI
retinoid carboxylate anions
ChEBI
retinoid carboxylic acid anion
ChEBI
retinoid carboxylic acid anions
ChEBI
An alpha-hydroxy ketone in which the carbonyl group and the hydroxy group are linked by a -CH2 (methylene) group.
0
C2H3O2R
59.044
59.01330
*C(C(O)([H])[H])=O
chebi_ontology
primary alpha-hydroxy ketones
primary alpha-hydroxy-ketone
primary alpha-hydroxy-ketones
primary alpha-hydroxyketone
primary alpha-hydroxyketones
CHEBI:139590
primary alpha-hydroxy ketone
primary alpha-hydroxy ketones
ChEBI
primary alpha-hydroxy-ketone
ChEBI
primary alpha-hydroxy-ketones
ChEBI
primary alpha-hydroxyketone
ChEBI
primary alpha-hydroxyketones
ChEBI
An alpha-hydroxy ketone in which the carbonyl group and the hydroxy group are linked by a carbon bearing two organyl groups.
0
C2HO2R3
57.028
56.99765
C(C(=O)*)(O)(*)*
chebi_ontology
tertiary alpha-hydroxy ketones
tertiary alpha-hydroxy-ketone
tertiary alpha-hydroxy-ketones
tertiary alpha-hydroxyketone
tertiary alpha-hydroxyketones
CHEBI:139592
tertiary alpha-hydroxy ketone
tertiary alpha-hydroxy ketones
ChEBI
tertiary alpha-hydroxy-ketone
ChEBI
tertiary alpha-hydroxy-ketones
ChEBI
tertiary alpha-hydroxyketone
ChEBI
tertiary alpha-hydroxyketones
ChEBI
A carboxamide resulting from the formal condensation of a carboxylic acid with a primary amine; formula RC(=O)NHR(1).
0
CHNOR2
43.025
43.00581
N(C(*)=O)(*)[H]
chebi_ontology
secondary carboxamides
CHEBI:140325
secondary carboxamide
secondary carboxamides
ChEBI
Any saturated fatty acid containing 4 carbons.
0
CHO2R
45.017
44.99765
*C(O)=O
chebi_ontology
CHEBI:140601
fatty acid 4:0
0
C62H88CoN13O14PR
1329.350
1328.56433
[Co-3]1234(N5C6=C(C7=[N+]4C(=CC8=[N+]3C(=C(C9=[N+]2[C@@]([C@]5([C@@H]([C@@]6(C)CCC(=O)NC[C@H](OP(O[C@@H]%10[C@H](O[C@H](N%11C=[N+]1C%12=CC(=C(C=C%12%11)C)C)[C@@H]%10O)CO)(=O)[O-])C)CC(=O)N)[H])([C@]([C@@H]9CCC(N)=O)(CC(=O)N)C)C)C)[C@](C)([C@@H]8CCC(=O)N)CC(N)=O)C([C@@H]7CCC(=O)N)(C)C)C)*
MetaCyc:CPD-20938
chebi_ontology
an alkylcob(III)alamin
CHEBI:140785
alkylcob(III)alamin
MetaCyc:CPD-20938
SUBMITTER
an alkylcob(III)alamin
UniProt
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.
0
C7H6N2O
134.136
134.04801
C(=CC(NC(=*)*)=*)(NC(C(C)=*)=O)*
chebi_ontology
CHEBI:142163
24G7 epitope
An organic group forming part of, and a proposed epitope within, globoside GM1.
0
C18H30O15
486.423
486.15847
*[C@@H]1O[C@@H]([C@@H](O[C@@H]2O[C@@H]([C@H](O[C@@H]3[C@@H]([C@@H](O)[C@H]([C@@H](CO)O3)O*)O)[C@@H]([C@H]2O)O)CO)[C@@H]([C@H]1O)O)CO
PMID:7691279
->4)-alpha-D-galactopyranosyl-(1->4)-beta-D-galactopyranosylp-(1->4)-beta-D-glucopyranosyl
chebi_ontology
->4)-alpha-D-Gal-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-yl
->4)-alpha-D-Gal-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-yl group
->4)-alpha-D-galactosyl-(1->4)-beta-D-galactosylp-(1->4)-beta-D-glucosyl
CHEBI:142533
->4)-alpha-D-Galp-(1->4)-beta-D-Galp-(1->4)-beta-D-Glcp-yl group
PMID:7691279
Europe PMC
->4)-alpha-D-galactopyranosyl-(1->4)-beta-D-galactopyranosylp-(1->4)-beta-D-glucopyranosyl
IUPAC
->4)-alpha-D-Gal-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-yl
ChEBI
->4)-alpha-D-Gal-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-yl group
ChEBI
->4)-alpha-D-galactosyl-(1->4)-beta-D-galactosylp-(1->4)-beta-D-glucosyl
ChEBI
A trisaccharide beta-D-glucosyl group obtained by removal of the hydroxy group from the hemiacetal function of alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucose. Part of, and the proposed epitope from, alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-ceramide (globoside Gb3Cer; globotriosylceramide; CTH).
0
C18H31O15
487.430
487.16630
[C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)O)O)*
PMID:7691279
alpha-D-galactopyranosyl-(1->4)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl
chebi_ontology
Gala1-4Galb1-4Glcb-yl
Galalpha1-4Galbeta1-4Glcbeta-R
Galalpha1-4Galbeta1-4Glcbeta-yl
alpha-D-Gal-(1->4)-beta-D-Gal-(1->4)-D-Glc-yl
alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl
CHEBI:142567
alpha-D-Galp-(1->4)-beta-D-Galp-(1->4)-beta-D-Glcp-yl group
PMID:7691279
Europe PMC
alpha-D-galactopyranosyl-(1->4)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl
IUPAC
Gala1-4Galb1-4Glcb-yl
ChEBI
Galalpha1-4Galbeta1-4Glcbeta-R
ChEBI
Galalpha1-4Galbeta1-4Glcbeta-yl
ChEBI
alpha-D-Gal-(1->4)-beta-D-Gal-(1->4)-D-Glc-yl
ChEBI
alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl
ChEBI
Zwitterionic form of 3-aminoisobutyric acid arising from migration of a proton from the carboxy group to the amino group; major species at pH 7.3.
0
C4H9NO2
InChI=1S/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7)
QCHPKSFMDHPSNR-UHFFFAOYSA-N
103.120
103.06333
C(C(C)C[NH3+])([O-])=O
3-azaniumyl-2-methylpropanoate
chebi_ontology
3-aminoisobutanoate
3-ammonio-2-methylpropanoate
CHEBI:142590
3-aminoisobutanoic acid zwitterion
3-azaniumyl-2-methylpropanoate
IUPAC
3-aminoisobutanoate
UniProt
3-ammonio-2-methylpropanoate
ChEBI
A beta-D-glucosyl group derived from the trisaccharide N-acetyl-alpha-neuraminyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucose. Implied reactive epitope within ganglioside GM3.
0
C23H38NO18
616.545
616.20889
O([C@@H]1[C@H]([C@H](O[C@@H]2[C@H](O[C@@H](*)[C@@H]([C@H]2O)O)CO)O[C@@H]([C@@H]1O)CO)O)[C@]3(O[C@]([C@@H]([C@H](C3)O)NC(C)=O)([C@@H]([C@@H](CO)O)O)[H])C(O)=O
PMID:7534889
5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl
chebi_ontology
3'-sialyllactosyl
Neu5Acalpha2-3Galbeta1-4Glcbeta-yl
alpha-N-acetylneuraminyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl
alpha-Neu5Ac-(2->3)-beta-D-Galp-(1->4)-beta-D-Glcp-yl
CHEBI:142767
alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->4)-beta-D-Glc-yl group
PMID:7534889
Europe PMC
5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl
IUPAC
3'-sialyllactosyl
ChEBI
Neu5Acalpha2-3Galbeta1-4Glcbeta-yl
ChEBI
alpha-N-acetylneuraminyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl
ChEBI
alpha-Neu5Ac-(2->3)-beta-D-Galp-(1->4)-beta-D-Glcp-yl
ChEBI
An alpha-amino-acid anion that is the conjugate base of glutamic acid, having anionic carboxy groups and a cationic amino group
-1
C5H8NO4
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
WHUUTDBJXJRKMK-UHFFFAOYSA-M
146.12136
146.04588
[NH3+]C(CCC([O-])=O)C([O-])=O
Gmelin:327908
glutamate(1-)
hydrogen glutamate
chebi_ontology
2-ammoniopentanedioate
glutamate
glutamic acid monoanion
CHEBI:14321
glutamate(1-)
Gmelin:327908
Gmelin
glutamate(1-)
JCBN
hydrogen glutamate
IUPAC
2-ammoniopentanedioate
IUPAC
glutamate
UniProt
glutamic acid monoanion
JCBN
The D-stereoisomer of 4-hydroxyproline.
0
C5H9NO3
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
PMMYEEVYMWASQN-SRBOSORUSA-N
131.131
131.05824
[C@@H]1(CC(O)CN1)C(O)=O
4-hydroxy-D-proline
chebi_ontology
(2R)-4-hydroxypyrrolidine-2-carboxylic acid
4-OH-D-Pro
4-hydroxy-D-Pro
CHEBI:144637
4-hydroxy-D-proline
4-hydroxy-D-proline
IUPAC
(2R)-4-hydroxypyrrolidine-2-carboxylic acid
ChEBI
4-OH-D-Pro
ChEBI
4-hydroxy-D-Pro
ChEBI
A peptide hormone which consists of two polypeptide chains, A- and B- chains which are linked together by disulfide bonds. The amino acid sequence of insulin varies across species and certain segments of the molecule are highly conserved. In most species, the A chain consists of 21 amino acids and the B chain consists of 30 amino acids. In mammals, insulin is synthesised in the pancreas within the beta cells whereas in certain species of fish, the insulin-producing tissue is uniquely located in separate structures called Brockmann bodies.
PMID:12137720
PMID:19251032
PMID:25848166
PMID:5941964
PMID:6069707
Wikipedia:Insulin
chebi_ontology
CHEBI:145810
insulin
PMID:12137720
Europe PMC
PMID:19251032
Europe PMC
PMID:25848166
Europe PMC
PMID:5941964
Europe PMC
PMID:6069707
Europe PMC
A member of the class of carbohydrates and carbohydrate derivatives that is any oligosaccharide or polysaccharide in which the identity of one or more of the individual monosaccharide units, their connectivity (position of attachment) or the stereochemistry (alpha- or beta-) of one or more of the glycosidic linkages is not known.
chebi_ontology
partially defined glycan
partially defined glycans
partially-defined glycans
CHEBI:146306
partially-defined glycan
partially defined glycan
ChEBI
partially defined glycans
ChEBI
partially-defined glycans
ChEBI
An amino disaccharide that is 2-acetamido-2-deoxy-D-galactopyranose in which the hydroxy group at position 3 has been converted to the corresponding D-galactopyranoside. The stereochemistry at the anomeric position in each of the galactopyranose rings is not stated.
0
C14H25NO11
InChI=1S/C14H25NO11/c1-4(18)15-7-12(9(20)6(3-17)24-13(7)23)26-14-11(22)10(21)8(19)5(2-16)25-14/h5-14,16-17,19-23H,2-3H2,1H3,(H,15,18)/t5-,6-,7-,8+,9+,10+,11-,12-,13?,14?/m1/s1
HMQPEDMEOBLSQB-PVSBWVJQSA-N
383.350
383.14276
O([C@@H]1[C@@H](NC(=O)C)C(O[C@@H]([C@@H]1O)CO)O)C2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)CO
GlyTouCan:G01416HI
KEGG:G10100
2-acetamido-2-deoxy-3-O-D-galactopyranosyl-D-galactopyranose
Gal(?1-3)GalNAc
chebi_ontology
D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-D-galacto-hexopyranose
N-[(3R,4R,5R,6R)-2,5-dihydroxy-6-(hydroxymethyl)-4-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
WURCS=2.0/2,2,1/[a2112h-1x_1-5_2*NCC/3=O][a2112h-1x_1-5]/1-2/a3-b1
CHEBI:146500
D-Galp-(1->3)-D-GalpNAc
2-acetamido-2-deoxy-3-O-D-galactopyranosyl-D-galactopyranose
IUPAC
Gal(?1-3)GalNAc
IUPAC
D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-D-galacto-hexopyranose
IUPAC
N-[(3R,4R,5R,6R)-2,5-dihydroxy-6-(hydroxymethyl)-4-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
IUPAC
WURCS=2.0/2,2,1/[a2112h-1x_1-5_2*NCC/3=O][a2112h-1x_1-5]/1-2/a3-b1
SUBMITTER
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.
0
C20H28O
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
NCYCYZXNIZJOKI-UHFFFAOYSA-N
284.43572
284.21402
[H]C(=O)C=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C
MetaCyc:Retinals
Reaxys:2055098
3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenal
retinal
chebi_ontology
CHEBI:15035
retinal
Reaxys:2055098
Reaxys
3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenal
IUPAC
retinal
UniProt
-1
C20H27O2
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
SHGAZHPCJJPHSC-UHFFFAOYSA-M
299.42718
299.20165
CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC([O-])=O
3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoate
retinoate
chebi_ontology
CHEBI:15036
retinoate
3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoate
IUPAC
retinoate
UniProt
A purine nucleobase found in humans and other organisms.
0
C5H4N4O2
152.111
152.03343
ECMDB:ECMDB00292
KNApSAcK:C00019660
PMID:1557408
PMID:24629268
PMID:9007687
YMDB:YMDB00263
xanthine
chebi_ontology
2,6-dioxopurine
2,6-dioxopurines
xanthines
CHEBI:15318
xanthine
PMID:1557408
Europe PMC
PMID:24629268
Europe PMC
PMID:9007687
Europe PMC
xanthine
ChEBI
2,6-dioxopurine
ChEBI
2,6-dioxopurines
ChEBI
xanthines
ChEBI
A molecular entity that can accept an electron, a pair of electrons, an atom or a group from another molecular entity.
CHEBI:13699
CHEBI:2377
KEGG:C00028
KEGG:C16722
Acceptor
chebi_ontology
A
Akzeptor
Hydrogen-acceptor
Oxidized donor
accepteur
CHEBI:15339
acceptor
Acceptor
KEGG_COMPOUND
A
KEGG_COMPOUND
Akzeptor
ChEBI
Hydrogen-acceptor
KEGG_COMPOUND
Oxidized donor
KEGG_COMPOUND
accepteur
ChEBI
A sulfur-containing amino acid that is propanoic acid with an amino group at position 2 and a sulfanyl group at position 3.
0
C3H7NO2S
InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)
XUJNEKJLAYXESH-UHFFFAOYSA-N
121.15922
121.01975
NC(CS)C(O)=O
CHEBI:14061
CHEBI:23508
CHEBI:4050
Beilstein:1721406
CAS:3374-22-9
Gmelin:2933
KEGG:C00736
KNApSAcK:C00001351
KNApSAcK:C00007323
PMID:17439666
PMID:25181601
Reaxys:1721406
Wikipedia:Cysteine
Cysteine
cysteine
chebi_ontology
2-Amino-3-mercaptopropionic acid
2-amino-3-mercaptopropanoic acid
2-amino-3-sulfanylpropanoic acid
C
Cys
Cystein
Hcys
Zystein
cisteina
CHEBI:15356
cysteine
Beilstein:1721406
Beilstein
CAS:3374-22-9
ChemIDplus
CAS:3374-22-9
KEGG COMPOUND
CAS:3374-22-9
NIST Chemistry WebBook
Gmelin:2933
Gmelin
PMID:17439666
Europe PMC
PMID:25181601
Europe PMC
Reaxys:1721406
Reaxys
Cysteine
KEGG_COMPOUND
cysteine
ChEBI
cysteine
IUPAC
2-Amino-3-mercaptopropionic acid
KEGG_COMPOUND
2-amino-3-mercaptopropanoic acid
JCBN
2-amino-3-sulfanylpropanoic acid
IUPAC
C
ChEBI
Cys
ChEBI
Cystein
ChEBI
Hcys
IUPAC
Zystein
ChEBI
cisteina
ChEBI
A 2-oxo monocarboxylic acid anion that is the conjugate base of pyruvic acid, arising from deprotonation of the carboxy group.
-1
C3H3O3
InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)/p-1
LCTONWCANYUPML-UHFFFAOYSA-M
87.05412
87.00877
CC(=O)C([O-])=O
CHEBI:14987
CHEBI:26462
Beilstein:3587721
CAS:57-60-3
Gmelin:2502
KEGG:C00022
PMID:17190852
PMID:21603897
PMID:21823181
PMID:21854850
PMID:22006570
PMID:22016370
PMID:22215378
PMID:22311625
PMID:22451307
PMID:22458763
Reaxys:3587721
UM-BBD_compID:c0159
2-oxopropanoate
pyruvate
chebi_ontology
2-oxopropanoate
2-oxopropanoic acid, ion(1-)
CHEBI:15361
pyruvate
Beilstein:3587721
Beilstein
CAS:57-60-3
ChemIDplus
Gmelin:2502
Gmelin
PMID:17190852
Europe PMC
PMID:21603897
Europe PMC
PMID:21823181
Europe PMC
PMID:21854850
Europe PMC
PMID:22006570
Europe PMC
PMID:22016370
Europe PMC
PMID:22215378
Europe PMC
PMID:22311625
Europe PMC
PMID:22451307
Europe PMC
PMID:22458763
Europe PMC
Reaxys:3587721
Reaxys
UM-BBD_compID:c0159
UM-BBD
2-oxopropanoate
IUPAC
pyruvate
UniProt
2-oxopropanoate
ChEBI
2-oxopropanoic acid, ion(1-)
ChemIDplus
A simple monocarboxylic acid containing two carbons.
0
C2H4O2
InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)
QTBSBXVTEAMEQO-UHFFFAOYSA-N
60.05200
60.02113
CC(O)=O
CHEBI:22169
CHEBI:2387
CHEBI:40486
Beilstein:506007
CAS:64-19-7
Drug_Central:4211
Gmelin:1380
HMDB:HMDB0000042
KEGG:C00033
KEGG:D00010
KNApSAcK:C00001176
LIPID_MAPS_instance:LMFA01010002
MetaCyc:ACET
PDBeChem:ACT
PDBeChem:ACY
PMID:12005138
PMID:15107950
PMID:16630552
PMID:16774200
PMID:17190852
PMID:19416101
PMID:19469536
PMID:22153255
PMID:22173419
PPDB:1333
Reaxys:506007
Wikipedia:Acetic_acid
ACETIC ACID
Acetic acid
acetic acid
chebi_ontology
AcOH
CH3-COOH
CH3CO2H
E 260
E-260
E260
Essigsaeure
Ethanoic acid
Ethylic acid
HOAc
INS No. 260
MeCO2H
MeCOOH
Methanecarboxylic acid
acide acetique
ethoic acid
CHEBI:15366
acetic acid
Beilstein:506007
Beilstein
CAS:64-19-7
ChemIDplus
CAS:64-19-7
KEGG COMPOUND
CAS:64-19-7
NIST Chemistry WebBook
Drug_Central:4211
DrugCentral
Gmelin:1380
Gmelin
LIPID_MAPS_instance:LMFA01010002
LIPID MAPS
PMID:12005138
Europe PMC
PMID:15107950
Europe PMC
PMID:16630552
Europe PMC
PMID:16774200
Europe PMC
PMID:17190852
Europe PMC
PMID:19416101
Europe PMC
PMID:19469536
Europe PMC
PMID:22153255
Europe PMC
PMID:22173419
Europe PMC
Reaxys:506007
Reaxys
ACETIC ACID
PDBeChem
Acetic acid
KEGG_COMPOUND
acetic acid
IUPAC
AcOH
ChEBI
CH3-COOH
IUPAC
CH3CO2H
ChEBI
E 260
ChEBI
E-260
ChEBI
E260
ChEBI
Essigsaeure
ChEBI
Ethanoic acid
KEGG_COMPOUND
Ethylic acid
ChemIDplus
HOAc
ChEBI
INS No. 260
ChEBI
MeCO2H
ChEBI
MeCOOH
ChEBI
Methanecarboxylic acid
ChemIDplus
acide acetique
ChemIDplus
ethoic acid
ChEBI
A retinoic acid in which all four exocyclic double bonds have E- (trans-) geometry.
0
C20H28O2
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+
SHGAZHPCJJPHSC-YCNIQYBTSA-N
300.43512
300.20893
CC(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(C)=C/C(O)=O
CHEBI:45376
CHEBI:8815
Beilstein:2057223
CAS:302-79-4
DrugBank:DB00755
Drug_Central:2722
HMDB:HMDB0001852
KEGG:C00777
KEGG:D00094
LIPID_MAPS_instance:LMPR01090019
PDBeChem:REA
PMID:11073974
PMID:11214352
PMID:11332619
PMID:11343416
PMID:11437362
PMID:11556813
PMID:11722649
PMID:11896294
PMID:11904404
PMID:14581379
PMID:14605492
PMID:14627725
PMID:14704332
PMID:14705145
PMID:14978018
PMID:15194426
PMID:15318809
PMID:15327395
PMID:15359008
PMID:15376324
PMID:15476854
PMID:15537748
PMID:15539337
PMID:15675886
PMID:15839997
PMID:16569247
PMID:16685080
PMID:16688769
PMID:16720557
PMID:16819260
PMID:16847436
PMID:16920920
PMID:17073551
PMID:17166212
PMID:17204142
PMID:18052213
PMID:18085670
PMID:18162363
PMID:18183617
PMID:18318655
PMID:18322276
PMID:18400206
PMID:18404486
PMID:18440196
PMID:18678272
PMID:18819820
PMID:18977311
PMID:19112091
PMID:19144697
PMID:19427305
PMID:19587328
PMID:19597529
PMID:19814868
PMID:19841174
PMID:21898109
PMID:21924320
PMID:21993673
PMID:22134377
PMID:22177959
PMID:22180426
PMID:22244299
PMID:22261335
PMID:22428994
PMID:22514600
PMID:22532966
PMID:22534100
PMID:22538278
PMID:22741806
Reaxys:2057223
Wikipedia:Tretinoin
(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid
all-trans-Retinoic acid
chebi_ontology
(all-E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid
3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexene-1-yl)-2,4,6,8-nonatetraenoic acid (ECL)
AGN 100335
Acide retinoique (French) (DSL)
RETINOIC ACID
Renova
Retin-A
Retinoic acid
Retisol-A
Ro 1-5488
Stieva-A
Tretin M
Tretinoine (French) (EINECS)
Vesanoid
Vitamin A acid
all-(E)-Retinoic acid
all-trans-Tretinoin
all-trans-Vitamin A acid
all-trans-Vitamin A1 acid
all-trans-beta-Retinoic acid
beta-Retinoic acid
trans-Retinoic acid
tretinoin
CHEBI:15367
all-trans-retinoic acid
Beilstein:2057223
Beilstein
CAS:302-79-4
ChemIDplus
CAS:302-79-4
KEGG COMPOUND
Drug_Central:2722
DrugCentral
LIPID_MAPS_instance:LMPR01090019
LIPID MAPS
PMID:11073974
Europe PMC
PMID:11214352
Europe PMC
PMID:11332619
Europe PMC
PMID:11343416
Europe PMC
PMID:11437362
Europe PMC
PMID:11556813
Europe PMC
PMID:11722649
Europe PMC
PMID:11896294
Europe PMC
PMID:11904404
Europe PMC
PMID:14581379
Europe PMC
PMID:14605492
Europe PMC
PMID:14627725
Europe PMC
PMID:14704332
Europe PMC
PMID:14705145
Europe PMC
PMID:14978018
Europe PMC
PMID:15194426
Europe PMC
PMID:15318809
Europe PMC
PMID:15327395
Europe PMC
PMID:15359008
Europe PMC
PMID:15376324
Europe PMC
PMID:15476854
Europe PMC
PMID:15537748
Europe PMC
PMID:15539337
Europe PMC
PMID:15675886
Europe PMC
PMID:15839997
Europe PMC
PMID:16569247
Europe PMC
PMID:16685080
Europe PMC
PMID:16688769
Europe PMC
PMID:16720557
Europe PMC
PMID:16819260
Europe PMC
PMID:16847436
Europe PMC
PMID:16920920
Europe PMC
PMID:17073551
Europe PMC
PMID:17166212
Europe PMC
PMID:17204142
Europe PMC
PMID:18052213
Europe PMC
PMID:18085670
Europe PMC
PMID:18162363
Europe PMC
PMID:18183617
Europe PMC
PMID:18318655
Europe PMC
PMID:18322276
Europe PMC
PMID:18400206
Europe PMC
PMID:18404486
Europe PMC
PMID:18440196
Europe PMC
PMID:18678272
Europe PMC
PMID:18819820
Europe PMC
PMID:18977311
Europe PMC
PMID:19112091
Europe PMC
PMID:19144697
Europe PMC
PMID:19427305
Europe PMC
PMID:19587328
Europe PMC
PMID:19597529
Europe PMC
PMID:19814868
Europe PMC
PMID:19841174
Europe PMC
PMID:21898109
Europe PMC
PMID:21924320
Europe PMC
PMID:21993673
Europe PMC
PMID:22134377
Europe PMC
PMID:22177959
Europe PMC
PMID:22180426
Europe PMC
PMID:22244299
Europe PMC
PMID:22261335
Europe PMC
PMID:22428994
Europe PMC
PMID:22514600
Europe PMC
PMID:22532966
Europe PMC
PMID:22534100
Europe PMC
PMID:22538278
Europe PMC
PMID:22741806
Europe PMC
Reaxys:2057223
Reaxys
(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid
IUPAC
all-trans-Retinoic acid
KEGG_COMPOUND
(all-E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid
KEGG_COMPOUND
3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexene-1-yl)-2,4,6,8-nonatetraenoic acid (ECL)
KEGG_COMPOUND
AGN 100335
KEGG_COMPOUND
Acide retinoique (French) (DSL)
KEGG_COMPOUND
RETINOIC ACID
PDBeChem
Renova
DrugBank
Retin-A
DrugBank
Retinoic acid
KEGG_COMPOUND
Retisol-A
DrugBank
Ro 1-5488
KEGG_COMPOUND
Stieva-A
DrugBank
Tretin M
KEGG_COMPOUND
Tretinoine (French) (EINECS)
KEGG_COMPOUND
Vesanoid
DrugBank
Vitamin A acid
KEGG_COMPOUND
all-(E)-Retinoic acid
KEGG_COMPOUND
all-trans-Tretinoin
KEGG_COMPOUND
all-trans-Vitamin A acid
KEGG_COMPOUND
all-trans-Vitamin A1 acid
KEGG_COMPOUND
all-trans-beta-Retinoic acid
KEGG_COMPOUND
beta-Retinoic acid
KEGG_COMPOUND
trans-Retinoic acid
KEGG_COMPOUND
tretinoin
ChemIDplus
0
O2
InChI=1S/O2/c1-2
MYMOFIZGZYHOMD-UHFFFAOYSA-N
31.99880
31.98983
O=O
CHEBI:10745
CHEBI:13416
CHEBI:23833
CHEBI:25366
CHEBI:30491
CHEBI:44742
CHEBI:7860
CAS:7782-44-7
Gmelin:485
HMDB:HMDB0001377
KEGG:C00007
KEGG:D00003
MetaCyc:OXYGEN-MOLECULE
MolBase:750
PDBeChem:OXY
PMID:10906528
PMID:16977326
PMID:18210929
PMID:18638417
PMID:19840863
PMID:7710549
PMID:9463773
Wikipedia:Oxygen
dioxygen
chebi_ontology
Disauerstoff
E 948
E-948
E948
O2
OXYGEN MOLECULE
Oxygen
[OO]
dioxygene
molecular oxygen
CHEBI:15379
dioxygen
CAS:7782-44-7
ChemIDplus
CAS:7782-44-7
KEGG COMPOUND
CAS:7782-44-7
NIST Chemistry WebBook
Gmelin:485
Gmelin
PMID:10906528
Europe PMC
PMID:16977326
Europe PMC
PMID:18210929
Europe PMC
PMID:18638417
Europe PMC
PMID:19840863
Europe PMC
PMID:7710549
Europe PMC
PMID:9463773
Europe PMC
dioxygen
IUPAC
Disauerstoff
ChEBI
E 948
ChEBI
E-948
ChEBI
E948
ChEBI
O2
IUPAC
O2
KEGG_COMPOUND
O2
UniProt
OXYGEN MOLECULE
PDBeChem
Oxygen
KEGG_COMPOUND
[OO]
MolBase
dioxygene
ChEBI
molecular oxygen
ChEBI
The simplest (and the only achiral) proteinogenic amino acid, with a hydrogen atom as its side chain.
0
C2H5NO2
InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)
DHMQDGOQFOQNFH-UHFFFAOYSA-N
75.06664
75.03203
NCC(O)=O
CHEBI:10792
CHEBI:14344
CHEBI:24368
CHEBI:42964
CHEBI:5460
Beilstein:635782
CAS:56-40-6
DrugBank:DB00145
Drug_Central:1319
ECMDB:ECMDB00123
Gmelin:1808
HMDB:HMDB0000123
KEGG:C00037
KEGG:D00011
KNApSAcK:C00001361
MetaCyc:GLY
PDBeChem:GLY
PMID:10930630
PMID:11019925
PMID:11174716
PMID:11542461
PMID:11806864
PMID:12631515
PMID:12754315
PMID:12770151
PMID:12921899
PMID:15331688
PMID:15388434
PMID:15710237
PMID:16105183
PMID:16151895
PMID:16214212
PMID:16417482
PMID:16444815
PMID:16664855
PMID:16901953
PMID:16918424
PMID:16986325
PMID:16998855
PMID:17154252
PMID:17383967
PMID:17582620
PMID:17970719
PMID:18079355
PMID:18396796
PMID:18440992
PMID:18593588
PMID:18816054
PMID:18840508
PMID:19028609
PMID:19120667
PMID:19449910
PMID:19526731
PMID:19544666
PMID:19738917
PMID:19916621
PMID:19924257
PMID:21751272
PMID:22044190
PMID:22079563
PMID:22234938
PMID:22264337
PMID:22293292
PMID:22401276
PMID:22434786
Reaxys:635782
Wikipedia:Glycine
YMDB:YMDB00016
GLYCINE
Glycine
aminoacetic acid
glycine
chebi_ontology
Aminoacetic acid
Aminoessigsaeure
G
Gly
Glycin
Glycocoll
Glykokoll
Glyzin
H2N-CH2-COOH
Hgly
Leimzucker
aminoethanoic acid
CHEBI:15428
glycine
Beilstein:635782
Beilstein
CAS:56-40-6
ChemIDplus
CAS:56-40-6
KEGG COMPOUND
CAS:56-40-6
NIST Chemistry WebBook
Drug_Central:1319
DrugCentral
Gmelin:1808
Gmelin
PMID:10930630
Europe PMC
PMID:11019925
Europe PMC
PMID:11174716
Europe PMC
PMID:11542461
Europe PMC
PMID:11806864
Europe PMC
PMID:12631515
Europe PMC
PMID:12754315
Europe PMC
PMID:12770151
Europe PMC
PMID:12921899
Europe PMC
PMID:15331688
Europe PMC
PMID:15388434
Europe PMC
PMID:15710237
Europe PMC
PMID:16105183
Europe PMC
PMID:16151895
Europe PMC
PMID:16214212
Europe PMC
PMID:16417482
Europe PMC
PMID:16444815
Europe PMC
PMID:16664855
Europe PMC
PMID:16901953
Europe PMC
PMID:16918424
Europe PMC
PMID:16986325
Europe PMC
PMID:16998855
Europe PMC
PMID:17154252
Europe PMC
PMID:17383967
Europe PMC
PMID:17582620
Europe PMC
PMID:17970719
Europe PMC
PMID:18079355
Europe PMC
PMID:18396796
Europe PMC
PMID:18440992
Europe PMC
PMID:18593588
Europe PMC
PMID:18816054
Europe PMC
PMID:18840508
Europe PMC
PMID:19028609
Europe PMC
PMID:19120667
Europe PMC
PMID:19449910
Europe PMC
PMID:19526731
Europe PMC
PMID:19544666
Europe PMC
PMID:19738917
Europe PMC
PMID:19916621
Europe PMC
PMID:19924257
Europe PMC
PMID:21751272
Europe PMC
PMID:22044190
Europe PMC
PMID:22079563
Europe PMC
PMID:22234938
Europe PMC
PMID:22264337
Europe PMC
PMID:22293292
Europe PMC
PMID:22401276
Europe PMC
PMID:22434786
Europe PMC
Reaxys:635782
Reaxys
GLYCINE
PDBeChem
Glycine
KEGG_COMPOUND
aminoacetic acid
IUPAC
glycine
IUPAC
Aminoacetic acid
KEGG_COMPOUND
Aminoessigsaeure
ChEBI
G
ChEBI
Gly
KEGG_COMPOUND
Glycin
ChemIDplus
Glycocoll
ChemIDplus
Glykokoll
ChEBI
Glyzin
ChEBI
H2N-CH2-COOH
IUPAC
Hgly
IUPAC
Leimzucker
ChemIDplus
aminoethanoic acid
ChEBI
aminoethanoic acid
JCBN
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.
0
C20H32O5
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
XEYBRNLFEZDVAW-ARSRFYASSA-N
352.46510
352.22497
CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O
CHEBI:10910
CHEBI:10911
CHEBI:114125
CHEBI:26323
CHEBI:4625
CHEBI:8512
Beilstein:2224724
CAS:363-24-6
DrugBank:DB00917
Drug_Central:913
HMDB:HMDB0001220
KEGG:C00584
KEGG:D00079
LIPID_MAPS_instance:LMFA03010003
MetaCyc:5Z13E-15S-1115-DIHYDROXY-9-OXOPROS
PMID:24501112
PMID:7224729
PMID:7836930
Patent:DE2011969
Patent:GB851827
Patent:NL6505799
Patent:US3598858
Reaxys:2224724
Wikipedia:Prostaglandin_E2
(5Z,13E,15S)-11alpha,15-dihydroxy-9-oxoprosta-5,13-dien-1-oic acid
Prostaglandin E2
chebi_ontology
(15S)-prostaglandin E2
(5Z,11alpha,13E,15S)-11,15-dihydroxy-9-oxoprosta-5,13-dien-1-oic acid
(5Z,13E)-(15S)-11alpha,15-Dihydroxy-9-oxoprost-13-enoate
(5Z,13E)-(15S)-11alpha,15-Dihydroxy-9-oxoprosta-5,13-dienoate
(E,Z)-(1R,2R,3R)-7-(3-Hydroxy-2-((3S)-(3-hydroxy-1-octenyl))-5-oxocyclopentyl)-5-heptenoic acid
(Z)-7-((1R,2R,3R)-3-hydroxy-2-((S,E)-3-hydroxyoct-1-enyl)-5-oxocyclopentyl)hept-5-enoic acid
Dinoproston
Dinoprostone
PGE2
Prepidil
Propess
Prostin E2
dinoprostona
dinoprostone
dinoprostonum
CHEBI:15551
prostaglandin E2
Beilstein:2224724
Beilstein
CAS:363-24-6
ChemIDplus
CAS:363-24-6
KEGG COMPOUND
Drug_Central:913
DrugCentral
LIPID_MAPS_instance:LMFA03010003
LIPID MAPS
PMID:24501112
Europe PMC
PMID:7224729
Europe PMC
PMID:7836930
Europe PMC
Reaxys:2224724
Reaxys
(5Z,13E,15S)-11alpha,15-dihydroxy-9-oxoprosta-5,13-dien-1-oic acid
IUPAC
Prostaglandin E2
KEGG_COMPOUND
(15S)-prostaglandin E2
ChemIDplus
(5Z,11alpha,13E,15S)-11,15-dihydroxy-9-oxoprosta-5,13-dien-1-oic acid
ChemIDplus
(5Z,13E)-(15S)-11alpha,15-Dihydroxy-9-oxoprost-13-enoate
KEGG_COMPOUND
(5Z,13E)-(15S)-11alpha,15-Dihydroxy-9-oxoprosta-5,13-dienoate
KEGG_COMPOUND
(E,Z)-(1R,2R,3R)-7-(3-Hydroxy-2-((3S)-(3-hydroxy-1-octenyl))-5-oxocyclopentyl)-5-heptenoic acid
ChemIDplus
(Z)-7-((1R,2R,3R)-3-hydroxy-2-((S,E)-3-hydroxyoct-1-enyl)-5-oxocyclopentyl)hept-5-enoic acid
ChEMBL
Dinoproston
ChemIDplus
Dinoprostone
KEGG_COMPOUND
PGE2
ChemIDplus
PGE2
KEGG_COMPOUND
Prepidil
KEGG_DRUG
Propess
DrugBank
Prostin E2
KEGG_DRUG
dinoprostona
ChemIDplus
dinoprostone
KEGG_DRUG
dinoprostonum
ChemIDplus
A N-alkylglycine that is the N-methyl derivative of glycine. It is an intermediate in the metabolic pathway of glycine.
0
C3H7NO2
InChI=1S/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6)
FSYKKLYZXJSNPZ-UHFFFAOYSA-N
89.09322
89.04768
CNCC(O)=O
CHEBI:10876
CHEBI:12609
CHEBI:15065
CHEBI:21765
CHEBI:45381
CHEBI:45442
CHEBI:45531
CHEBI:45614
CHEBI:9029
Beilstein:1699442
CAS:107-97-1
Gmelin:2018
HMDB:HMDB0000271
KEGG:C00213
MetaCyc:SARCOSINE
PDBeChem:SAR
PMID:11272730
PMID:11850512
PMID:15023571
PMID:15331688
PMID:16154544
PMID:17095900
PMID:17190852
PMID:17901997
PMID:19433577
PMID:19577367
PMID:19619564
PMID:19944746
Reaxys:1699442
UM-BBD_compID:c0135
Wikipedia:Sarcosine
SARCOSINE
Sarcosine
sarcosine
chebi_ontology
(methylamino)acetic acid
(methylamino)ethanoic acid
L-sarcosine
MeGly
N-Methylglycine
N-methylaminoacetic acid
Sar
methylaminoacetic acid
sarcosinic acid
CHEBI:15611
sarcosine
Beilstein:1699442
ChemIDplus
CAS:107-97-1
ChemIDplus
CAS:107-97-1
KEGG COMPOUND
CAS:107-97-1
NIST Chemistry WebBook
Gmelin:2018
Gmelin
PMID:11272730
Europe PMC
PMID:11850512
Europe PMC
PMID:15023571
Europe PMC
PMID:15331688
Europe PMC
PMID:16154544
Europe PMC
PMID:17095900
Europe PMC
PMID:17190852
Europe PMC
PMID:17901997
Europe PMC
PMID:19433577
Europe PMC
PMID:19577367
Europe PMC
PMID:19619564
Europe PMC
PMID:19944746
Europe PMC
Reaxys:1699442
Reaxys
UM-BBD_compID:c0135
UM-BBD
SARCOSINE
PDBeChem
Sarcosine
KEGG_COMPOUND
sarcosine
IUPAC
(methylamino)acetic acid
ChemIDplus
(methylamino)ethanoic acid
NIST_Chemistry_WebBook
L-sarcosine
ChEBI
MeGly
ChEBI
N-Methylglycine
KEGG_COMPOUND
N-methylaminoacetic acid
NIST_Chemistry_WebBook
Sar
IUPAC
methylaminoacetic acid
NIST_Chemistry_WebBook
sarcosinic acid
ChemIDplus
An imidazolidine-2,4-dione that is 5-aminohydantoin in which a carbamoyl group is attached to the exocyclic nitrogen.
0
C4H6N4O3
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)
POJWUDADGALRAB-UHFFFAOYSA-N
158.11560
158.04399
NC(=O)NC1NC(=O)NC1=O
CHEBI:13761
CHEBI:22354
CHEBI:2594
CAS:97-59-6
Drug_Central:4268
HMDB:HMDB0000462
KEGG:C01551
KEGG:D00121
KNApSAcK:C00007468
LINCS:LSM-5190
MetaCyc:ALLANTOIN
PMID:11157020
PMID:14619112
PMID:17190852
Patent:US2158098
Reaxys:83514
Wikipedia:Allantoin
Allantoin
N-(2,5-dioxoimidazolidin-4-yl)urea
allantoin
chebi_ontology
(2,5-Dioxo-4-imidazolidinyl)urea
2,5-Dioxo-4-imidazolidinyl-urea
4-ureido-2,5-imidazolidinedione
5-Ureido-2,4-imidazolidindione
5-Ureidohydantoin
Glyoxyldiureide
N-(2,5-Dioxo-4-imidazolidinyl)urea
CHEBI:15676
allantoin
CAS:97-59-6
ChemIDplus
CAS:97-59-6
KEGG COMPOUND
CAS:97-59-6
NIST Chemistry WebBook
Drug_Central:4268
DrugCentral
PMID:11157020
Europe PMC
PMID:14619112
Europe PMC
PMID:17190852
Europe PMC
Reaxys:83514
Reaxys
Allantoin
KEGG_COMPOUND
N-(2,5-dioxoimidazolidin-4-yl)urea
IUPAC
allantoin
UniProt
(2,5-Dioxo-4-imidazolidinyl)urea
ChemIDplus
2,5-Dioxo-4-imidazolidinyl-urea
NIST_Chemistry_WebBook
4-ureido-2,5-imidazolidinedione
HMDB
5-Ureido-2,4-imidazolidindione
ChemIDplus
5-Ureidohydantoin
KEGG_COMPOUND
Glyoxyldiureide
KEGG_COMPOUND
N-(2,5-Dioxo-4-imidazolidinyl)urea
HMDB
A sialodiosylceramide consisting of the trisaccharide alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->4)-beta-D-Glc attached to the primary hydroxy function of ceramide.
0
C42H73N2O21R
942.02980
941.47058
[H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H](NC([*])=O)[C@H](O)\C=C\CCCCCCCCCCCCC)O[C@@H]2CO)[C@@H]1O)C(O)=O)[C@H](O)[C@H](O)CO
CHEBI:10959
CHEBI:12288
CHEBI:12580
CHEBI:15680
CHEBI:21147
CHEBI:21623
CHEBI:5227
KEGG:C04730
KEGG:G00108
LIPID_MAPS_instance:LMSP0601AJ00
PMID:11093705
PMID:11164910
PMID:11534772
PMID:12950986
PMID:1371229
PMID:1379980
PMID:15102521
PMID:15385432
PMID:15546874
PMID:1567198
PMID:15939439
PMID:16212238
PMID:16341241
PMID:16574813
PMID:167132
PMID:1724444
PMID:19364317
PMID:21149694
PMID:2303428
PMID:2448252
PMID:2449247
PMID:2714813
PMID:2775195
PMID:3392043
PMID:3864442
PMID:7534889
PMID:7693874
PMID:8448384
PMID:8496625
PMID:9375803
(2S,3R,4E)-2-(acylamino)-3-hydroxyoctadec-4-en-1-yl 5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside
chebi_ontology
(Gal)1 (Glc)1 (Neu5Ac)1 (Cer)1
(N-Acetylneuraminyl)-D-galactosyl-D-glucosylceramide
(Neu5Ac)GM3
GM3
GM3 (NeuAc)
Hematoside
N-Acetylneuraminyl-2,3-alpha-D-galactosyl-1,4-beta-D-glucosylceramide
Neu5Ac-alpha2->3Gal-beta1->4Glc-beta1->1'Cer
Neu5Acalpha2->3Galbeta1->4Glcbeta-Cer
NeuAc-GM3
NeuAcalpha2-3Galbeta1-4Glcbeta1-1'Cer
NeuAcalpha2->3Galbeta1->4Glc-Cer
alpha-N-Acetylneuraminyl-2,3-beta-D-galactosyl-1,4-beta-D-glucosylceramide
alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosylceramide
alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosylceramides
alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer
alpha-Neu5Ac-(2->3)-beta-D-Galp-(1->4)-beta-D-Glcp-(1<->1')-Cer
ganglioside GM3
monosialoganglioside GM3
CHEBI:15681
alpha-N-acetylneuraminyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide
LIPID_MAPS_instance:LMSP0601AJ00
LIPID MAPS
PMID:11093705
Europe PMC
PMID:11164910
Europe PMC
PMID:11534772
Europe PMC
PMID:12950986
Europe PMC
PMID:1371229
Europe PMC
PMID:1379980
Europe PMC
PMID:15102521
Europe PMC
PMID:15385432
Europe PMC
PMID:15546874
Europe PMC
PMID:1567198
Europe PMC
PMID:15939439
Europe PMC
PMID:16212238
Europe PMC
PMID:16341241
Europe PMC
PMID:16574813
Europe PMC
PMID:167132
Europe PMC
PMID:1724444
Europe PMC
PMID:19364317
Europe PMC
PMID:21149694
Europe PMC
PMID:2303428
Europe PMC
PMID:2448252
Europe PMC
PMID:2449247
Europe PMC
PMID:2714813
Europe PMC
PMID:2775195
Europe PMC
PMID:3392043
Europe PMC
PMID:3864442
Europe PMC
PMID:7534889
Europe PMC
PMID:7693874
Europe PMC
PMID:8448384
Europe PMC
PMID:8496625
Europe PMC
PMID:9375803
Europe PMC
(2S,3R,4E)-2-(acylamino)-3-hydroxyoctadec-4-en-1-yl 5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside
IUPAC
(Gal)1 (Glc)1 (Neu5Ac)1 (Cer)1
KEGG_GLYCAN
(N-Acetylneuraminyl)-D-galactosyl-D-glucosylceramide
KEGG_COMPOUND
(Neu5Ac)GM3
ChEBI
GM3
KEGG_COMPOUND
GM3 (NeuAc)
ChEBI
Hematoside
KEGG_GLYCAN
N-Acetylneuraminyl-2,3-alpha-D-galactosyl-1,4-beta-D-glucosylceramide
KEGG_COMPOUND
Neu5Ac-alpha2->3Gal-beta1->4Glc-beta1->1'Cer
KEGG_COMPOUND
Neu5Acalpha2->3Galbeta1->4Glcbeta-Cer
ChEBI
NeuAc-GM3
ChEBI
NeuAcalpha2-3Galbeta1-4Glcbeta1-1'Cer
ChEBI
NeuAcalpha2->3Galbeta1->4Glc-Cer
ChEBI
alpha-N-Acetylneuraminyl-2,3-beta-D-galactosyl-1,4-beta-D-glucosylceramide
KEGG_COMPOUND
alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosylceramide
ChEBI
alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosylceramides
ChEBI
alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer
ChEBI
alpha-Neu5Ac-(2->3)-beta-D-Galp-(1->4)-beta-D-Glcp-(1<->1')-Cer
ChEBI
ganglioside GM3
ChEBI
monosialoganglioside GM3
ChEBI
Aldehydic parent sugars (polyhydroxy aldehydes H[CH(OH)]nC(=O)H, n >= 2) and their intramolecular hemiacetals.
0
C2H4O2(CH2O)n
CHEBI:13755
CHEBI:22305
CHEBI:2561
KEGG:C01370
Wikipedia:Aldose
Aldose
chebi_ontology
aldoses
an aldose
CHEBI:15693
aldose
Aldose
KEGG_COMPOUND
aldoses
ChEBI
an aldose
UniProt
Any alpha-amino acid having L-configuration at the alpha-carbon.
0
C2H4NO2R
74.05870
74.02420
N[C@@H]([*])C(O)=O
CHEBI:13072
CHEBI:13243
CHEBI:13797
CHEBI:21224
CHEBI:6175
KEGG:C00151
L-alpha-amino acid
L-alpha-amino acids
chebi_ontology
L-2-Amino acid
L-Amino acid
L-alpha-amino acids
CHEBI:15705
L-alpha-amino acid
L-alpha-amino acid
IUPAC
L-alpha-amino acids
IUPAC
L-2-Amino acid
KEGG_COMPOUND
L-Amino acid
KEGG_COMPOUND
L-alpha-amino acids
ChEBI
A dipeptide that is the N-(beta-alanyl) derivative of L-histidine.
0
C9H14N4O3
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
CQOVPNPJLQNMDC-ZETCQYMHSA-N
226.23262
226.10659
NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(O)=O
CHEBI:13948
CHEBI:23040
CHEBI:3428
CAS:305-84-0
HMDB:HMDB0000033
KEGG:C00386
MetaCyc:CARNOSINE
PMID:16804013
PMID:18019400
PMID:18076890
PMID:18773880
PMID:24398899
Reaxys:87671
Wikipedia:Carnosine
Carnosine
N(alpha)-(beta-alanyl)-L-histidine
chebi_ontology
Nalpha-(beta-alanyl)-L-histidine
CHEBI:15727
carnosine
CAS:305-84-0
ChemIDplus
CAS:305-84-0
KEGG COMPOUND
PMID:16804013
Europe PMC
PMID:18019400
Europe PMC
PMID:18076890
Europe PMC
PMID:18773880
Europe PMC
PMID:24398899
Europe PMC
Reaxys:87671
Reaxys
Carnosine
KEGG_COMPOUND
N(alpha)-(beta-alanyl)-L-histidine
IUPAC
Nalpha-(beta-alanyl)-L-histidine
KEGG_COMPOUND
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.
0
CH3OR
31.034
31.01839
*C(O)([H])[H]
CHEBI:13676
CHEBI:14887
CHEBI:26262
CHEBI:57489
CHEBI:8406
KEGG:C00226
Primary alcohol
chebi_ontology
1-Alcohol
a primary alcohol
primary alcohols
CHEBI:15734
primary alcohol
Primary alcohol
KEGG_COMPOUND
1-Alcohol
KEGG_COMPOUND
a primary alcohol
UniProt
primary alcohols
ChEBI
A monocarboxylic acid anion that is the conjugate base of formic acid. Induces severe metabolic acidosis and ocular injury in human subjects.
-1
CHO2
InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)/p-1
BDAGIHXWWSANSR-UHFFFAOYSA-M
45.01744
44.99820
[H]C([O-])=O
CHEBI:14276
CHEBI:24081
Beilstein:1901205
CAS:71-47-6
Gmelin:1006
HMDB:HMDB0000142
KEGG:C00058
MetaCyc:FORMATE
PMID:17190852
PMID:3946945
Reaxys:1901205
UM-BBD_compID:c0106
Wikipedia:Formate
formate
chebi_ontology
HCO2 anion
aminate
formiate
formic acid, ion(1-)
formylate
hydrogen carboxylate
methanoate
CHEBI:15740
formate
Beilstein:1901205
Beilstein
CAS:71-47-6
ChemIDplus
CAS:71-47-6
NIST Chemistry WebBook
Gmelin:1006
Gmelin
PMID:17190852
Europe PMC
PMID:3946945
Europe PMC
Reaxys:1901205
Reaxys
UM-BBD_compID:c0106
UM-BBD
formate
IUPAC
formate
UniProt
HCO2 anion
NIST_Chemistry_WebBook
aminate
ChEBI
formiate
ChEBI
formic acid, ion(1-)
ChemIDplus
formylate
ChEBI
hydrogen carboxylate
ChEBI
methanoate
ChEBI
A straight-chain, sixteen-carbon, saturated long-chain fatty acid.
0
C16H32O2
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)
IPCSVZSSVZVIGE-UHFFFAOYSA-N
256.42410
256.24023
CCCCCCCCCCCCCCCC(O)=O
CHEBI:14730
CHEBI:233028
CHEBI:24540
CHEBI:24541
CHEBI:24542
CHEBI:24550
CHEBI:29889
CHEBI:35978
CHEBI:44952
Beilstein:607489
CAS:57-10-3
DrugBank:DB03796
Gmelin:190200
HMDB:HMDB0000220
KEGG:C00249
KEGG:D05341
KNApSAcK:C00001233
KNApSAcK:C00030479
LIPID_MAPS_instance:LMFA01010001
MetaCyc:PALMITATE
PDBeChem:PLM
PMID:12492626
PMID:15357969
PMID:1589452
PMID:16509590
PMID:16884313
PMID:17439666
PMID:17502136
PMID:20001317
PMID:22735334
PMID:25584012
PMID:28600633
PPDB:1336
Reaxys:607489
Wikipedia:Palmitic_acid
hexadecanoic acid
chebi_ontology
1-Pentadecanecarboxylic acid
1-hexyldecanoic acid
16:00
C16
C16 fatty acid
C16:0
CH3-[CH2]14-COOH
FA 16:0
Hexadecanoate
Hexadecylic acid
Hexaectylic acid
PALMITIC ACID
Palmitate
Palmitic acid
Palmitinic acid
Palmitinsaeure
Pentadecanecarboxylic acid
cetylic acid
hexadecoic acid
n-hexadecanoic acid
n-hexadecoic acid
palmitic acid
CHEBI:15756
hexadecanoic acid
Beilstein:607489
Beilstein
CAS:57-10-3
ChemIDplus
CAS:57-10-3
KEGG COMPOUND
CAS:57-10-3
NIST Chemistry WebBook
Gmelin:190200
Gmelin
LIPID_MAPS_instance:LMFA01010001
LIPID MAPS
PMID:12492626
Europe PMC
PMID:15357969
ChEMBL
PMID:1589452
Europe PMC
PMID:16509590
ChEMBL
PMID:16884313
ChEMBL
PMID:17439666
Europe PMC
PMID:17502136
ChEMBL
PMID:20001317
Europe PMC
PMID:22735334
Europe PMC
PMID:25584012
Europe PMC
PMID:28600633
Europe PMC
Reaxys:607489
Reaxys
hexadecanoic acid
IUPAC
1-Pentadecanecarboxylic acid
ChemIDplus
1-hexyldecanoic acid
HMDB
16:00
ChEBI
C16
ChEBI
C16 fatty acid
HMDB
C16:0
LIPID_MAPS
CH3-[CH2]14-COOH
IUPAC
FA 16:0
ChEBI
Hexadecanoate
KEGG_COMPOUND
Hexadecylic acid
HMDB
Hexadecylic acid
KEGG_COMPOUND
Hexaectylic acid
HMDB
PALMITIC ACID
PDBeChem
Palmitate
KEGG_COMPOUND
Palmitic acid
KEGG_COMPOUND
Palmitinic acid
HMDB
Palmitinsaeure
ChEBI
Pentadecanecarboxylic acid
ChemIDplus
cetylic acid
KEGG_COMPOUND
hexadecoic acid
ChEBI
n-hexadecanoic acid
NIST_Chemistry_WebBook
n-hexadecoic acid
NIST_Chemistry_WebBook
palmitic acid
ChEBI
Any fatty acid anion containing a ring composed of carbon atoms. Major microspecies at pH 7.3
chebi_ontology
carbocyclic fatty acid
CHEBI:157668
carbocyclic fatty acid anion
carbocyclic fatty acid
UniProt
A carbohydrate acid derivative anion that is a polyanionic form of heparan sulfate arising from global deprotonation of the carboxy and N-sulfo groups; major species at pH 7.3.
-4
(C12H15NO20S3)n
0.0
0.0
chebi_ontology
heparan sulfate group
CHEBI:157750
heparan sulfate polyanion
heparan sulfate group
UniProt
Any N-acyl-amino acid in which the amino acid moiety has D configuration.
0
C3H3NO3R2
101.06080
101.01129
OC(=O)[C@@H]([*])NC([*])=O
CHEBI:12474
CHEBI:21631
CHEBI:7224
chebi_ontology
CHEBI:15778
N-acyl-D-amino acid
A dicarboxylic acid dianion obtained by the deprotonation of the carboxy groups of malonic acid.
-2
C3H2O4
InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)/p-2
OFOBLEOULBTSOW-UHFFFAOYSA-L
102.04558
101.99641
[O-]C(=O)CC([O-])=O
CHEBI:14563
CHEBI:25130
CHEBI:44151
Beilstein:3904386
CAS:156-80-9
DrugBank:DB02201
Gmelin:141932
KEGG:C00383
PDBeChem:MLI
Reaxys:3904386
propanedioate
chebi_ontology
(-)OOC-CH2-COO(-)
MALONATE ION
malo
malonate
malonic acid, ion(2-)
propanedioic acid, ion(2-)
CHEBI:15792
malonate(2-)
Beilstein:3904386
Beilstein
CAS:156-80-9
ChemIDplus
Gmelin:141932
Gmelin
Reaxys:3904386
Reaxys
propanedioate
IUPAC
(-)OOC-CH2-COO(-)
ChEBI
MALONATE ION
PDBeChem
malo
IUPAC
malonate
UniProt
malonic acid, ion(2-)
ChemIDplus
propanedioic acid, ion(2-)
ChemIDplus
A 2-hydroxyglutarate(2-) that has (2R)-configuration.
-2
C5H6O5
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
HWXBTNAVRSUOJR-GSVOUGTGSA-L
146.09814
146.02262
O[C@H](CCC([O-])=O)C([O-])=O
CHEBI:10974
CHEBI:18650
KEGG:C01087
MetaCyc:R-2-HYDROXYGLUTARATE
(2R)-2-hydroxypentanedioate
chebi_ontology
(R)-2-hydroxyglutarate
CHEBI:15801
(R)-2-hydroxyglutarate(2-)
(2R)-2-hydroxypentanedioate
IUPAC
(R)-2-hydroxyglutarate
ChEBI
(R)-2-hydroxyglutarate
UniProt
A peptide containing ten or more amino acid residues.
C4H6N2O3R2(C2H2NOR)n
CHEBI:14860
CHEBI:8314
KEGG:C00403
Polypeptide
polypeptides
chebi_ontology
Polypeptid
polipeptido
CHEBI:15841
polypeptide
Polypeptide
KEGG_COMPOUND
polypeptides
IUPAC
Polypeptid
ChEBI
polipeptido
ChEBI
Any 3-hydroxy steroid whose skeleton is closely related to cholestan-3-ol (additional carbon atoms may be present in the side chain).
0
C19H31OR
275.450
275.23749
C12C(C3C(C(CC3)*)(C)CC1)CCC4C2(CCC(C4)O)C
CHEBI:13688
CHEBI:15114
CHEBI:26771
CHEBI:9266
KEGG:C00370
LIPID_MAPS_class:LMST01
MetaCyc:Sterols
Wikipedia:Sterol
Sterol
sterols
chebi_ontology
3-hydroxysteroids
a sterol
CHEBI:15889
sterol
LIPID_MAPS_class:LMST01
LIPID MAPS
Sterol
KEGG_COMPOUND
sterols
IUPAC
3-hydroxysteroids
ChEBI
a sterol
UniProt
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.
0
C2H7NO3S
InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)
XOAAWQZATWQOTB-UHFFFAOYSA-N
125.148
125.01466
C(CS(O)(=O)=O)N
CHEBI:15195
CHEBI:26852
CHEBI:45877
CHEBI:9406
Beilstein:1751215
CAS:107-35-7
DrugBank:DB01956
Drug_Central:4486
Gmelin:82121
HMDB:HMDB0000251
KEGG:C00245
KEGG:D00047
KNApSAcK:C00048188
MetaCyc:TAURINE
PDBeChem:TAU
PMID:10098958
PMID:10325611
PMID:10349454
PMID:10827156
PMID:11162030
PMID:11842876
PMID:11918831
PMID:11931837
PMID:12297216
PMID:12499349
PMID:12834252
PMID:14992292
PMID:15503229
PMID:15780050
PMID:15911239
PMID:16169526
PMID:16444816
PMID:16923232
PMID:17053427
PMID:17081118
PMID:17875433
PMID:17997039
PMID:18060526
PMID:18171928
PMID:19074966
PMID:19212411
PMID:19309105
PMID:19940987
PMID:2122710
PMID:21761941
PMID:22770225
PMID:2370482
PMID:24027187
PMID:2494044
PMID:27291853
PMID:27334436
PMID:27345710
PMID:27380030
PMID:27412799
PMID:27471162
PMID:27535560
PMID:3106924
PMID:3393260
PMID:6198473
PMID:7588651
PMID:8692051
PMID:8818047
PMID:9635063
Reaxys:1751215
Wikipedia:Taurine
2-aminoethanesulfonic acid
Taurine
chebi_ontology
2-Aminoethanesulfonic acid
2-aminoethyl sulfonate
Aminoethylsulfonic acid
beta-aminoethylsulfonic acid
CHEBI:15891
taurine
Beilstein:1751215
Beilstein
CAS:107-35-7
ChemIDplus
CAS:107-35-7
KEGG COMPOUND
CAS:107-35-7
NIST Chemistry WebBook
Drug_Central:4486
DrugCentral
Gmelin:82121
Gmelin
PMID:10098958
Europe PMC
PMID:10325611
Europe PMC
PMID:10349454
Europe PMC
PMID:10827156
Europe PMC
PMID:11162030
Europe PMC
PMID:11842876
Europe PMC
PMID:11918831
Europe PMC
PMID:11931837
Europe PMC
PMID:12297216
Europe PMC
PMID:12499349
Europe PMC
PMID:12834252
Europe PMC
PMID:14992292
Europe PMC
PMID:15503229
Europe PMC
PMID:15780050
Europe PMC
PMID:15911239
Europe PMC
PMID:16169526
Europe PMC
PMID:16444816
Europe PMC
PMID:16923232
Europe PMC
PMID:17053427
Europe PMC
PMID:17081118
Europe PMC
PMID:17875433
Europe PMC
PMID:17997039
Europe PMC
PMID:18060526
Europe PMC
PMID:18171928
Europe PMC
PMID:19074966
Europe PMC
PMID:19212411
Europe PMC
PMID:19309105
Europe PMC
PMID:19940987
Europe PMC
PMID:2122710
Europe PMC
PMID:21761941
Europe PMC
PMID:22770225
Europe PMC
PMID:2370482
Europe PMC
PMID:24027187
Europe PMC
PMID:2494044
Europe PMC
PMID:27291853
Europe PMC
PMID:27334436
Europe PMC
PMID:27345710
Europe PMC
PMID:27380030
Europe PMC
PMID:27412799
Europe PMC
PMID:27471162
Europe PMC
PMID:27535560
Europe PMC
PMID:3106924
Europe PMC
PMID:3393260
Europe PMC
PMID:6198473
Europe PMC
PMID:7588651
Europe PMC
PMID:8692051
Europe PMC
PMID:8818047
Europe PMC
PMID:9635063
Europe PMC
Reaxys:1751215
Reaxys
2-aminoethanesulfonic acid
IUPAC
Taurine
KEGG_COMPOUND
2-Aminoethanesulfonic acid
KEGG_COMPOUND
2-aminoethyl sulfonate
IUBMB
Aminoethylsulfonic acid
KEGG_COMPOUND
beta-aminoethylsulfonic acid
NIST_Chemistry_WebBook
D-Glucopyranose with beta configuration at the anomeric centre.
0
C6H12O6
InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1
WQZGKKKJIJFFOK-VFUOTHLCSA-N
180.15588
180.06339
OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
CHEBI:10397
CHEBI:12373
CHEBI:22795
CHEBI:41140
Beilstein:1281607
CAS:492-61-5
DrugBank:DB02379
Drug_Central:845
GlyTouCan:G71142DF
Gmelin:648637
KEGG:C00221
PDBeChem:BGC
PMID:19443021
PMID:25568069
PMID:31537530
Reaxys:1281607
BETA-D-GLUCOSE
beta-D-Glucose
beta-D-glucopyranose
beta-D-glucose
chebi_ontology
CHEBI:15903
beta-D-glucose
Beilstein:1281607
Beilstein
CAS:492-61-5
ChemIDplus
CAS:492-61-5
KEGG COMPOUND
CAS:492-61-5
NIST Chemistry WebBook
Drug_Central:845
DrugCentral
Gmelin:648637
Gmelin
PMID:19443021
Europe PMC
PMID:25568069
Europe PMC
PMID:31537530
Europe PMC
Reaxys:1281607
Reaxys
BETA-D-GLUCOSE
PDBeChem
beta-D-Glucose
KEGG_COMPOUND
beta-D-glucopyranose
IUPAC
beta-D-glucose
UniProt
A fatty acid with a chain length ranging from C13 to C22.
0
CHO2R
45.017
44.99765
OC([*])=O
CHEBI:13655
CHEBI:14529
CHEBI:25075
CHEBI:6528
KEGG:C00638
Long-chain fatty acid
chebi_ontology
Higher fatty acid
LCFA
LCFAs
long-chain fatty acids
CHEBI:15904
long-chain fatty acid
Long-chain fatty acid
KEGG_COMPOUND
Higher fatty acid
KEGG_COMPOUND
LCFA
ChEBI
LCFAs
ChEBI
long-chain fatty acids
ChEBI
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.
0
C5H12O5
InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4+,5-
HEBKCHPVOIAQTA-ZXFHETKHSA-N
152.14578
152.06847
OC[C@H](O)[C@H](O)[C@H](O)CO
CHEBI:15043
CHEBI:21074
CHEBI:26552
CHEBI:27854
CHEBI:4230
CHEBI:48505
CHEBI:57591
CHEBI:8841
Beilstein:1720524
CAS:488-81-3
Gmelin:82894
HMDB:HMDB0000508
KEGG:C00474
KNApSAcK:C00001171
MetaCyc:RIBITOL
PMID:15234337
PMID:16664320
PMID:16901854
PMID:17336832
PMID:17979222
PMID:23564164
PMID:24643482
PMID:25108762
Reaxys:1720524
Wikipedia:Ribitol
(2R,3s,4S)-pentane-1,2,3,4,5-pentol
Ribitol
meso-ribitol
ribitol
chebi_ontology
(2R,3s,4S)-pentane-1,2,3,4,5-pentol
Adonitol
D-Adonitol
D-Ribitol
L-ribitol
CHEBI:15963
ribitol
Beilstein:1720524
ChemIDplus
CAS:488-81-3
ChemIDplus
CAS:488-81-3
KEGG COMPOUND
CAS:488-81-3
NIST Chemistry WebBook
Gmelin:82894
Gmelin
PMID:15234337
Europe PMC
PMID:16664320
Europe PMC
PMID:16901854
Europe PMC
PMID:17336832
Europe PMC
PMID:17979222
Europe PMC
PMID:23564164
Europe PMC
PMID:24643482
Europe PMC
PMID:25108762
Europe PMC
Reaxys:1720524
Reaxys
(2R,3s,4S)-pentane-1,2,3,4,5-pentol
IUPAC
Ribitol
KEGG_COMPOUND
meso-ribitol
IUPAC
ribitol
UniProt
(2R,3s,4S)-pentane-1,2,3,4,5-pentol
HMDB
Adonitol
KEGG_COMPOUND
D-Adonitol
KEGG_COMPOUND
D-Ribitol
KEGG_COMPOUND
L-ribitol
ChEBI
An optically active form of glutamic acid having D-configuration.
0
C5H9NO4
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
WHUUTDBJXJRKMK-GSVOUGTGSA-N
147.12930
147.05316
N[C@H](CCC(O)=O)C(O)=O
CHEBI:21023
CHEBI:4183
Beilstein:1723800
CAS:6893-26-1
DrugBank:DB02517
Gmelin:201189
HMDB:HMDB0003339
KEGG:C00217
KNApSAcK:C00019577
MetaCyc:D-GLT
PDBeChem:DGL
Reaxys:1723800
(2R)-2-aminopentanedioic acid
D-Glutamic acid
D-glutamic acid
chebi_ontology
(R)-2-aminopentanedioic acid
D-2-Aminoglutaric acid
D-Glutaminic acid
D-Glutaminsaeure
DGL
glutamic acid D-form
CHEBI:15966
D-glutamic acid
Beilstein:1723800
Beilstein
CAS:6893-26-1
ChemIDplus
CAS:6893-26-1
KEGG COMPOUND
CAS:6893-26-1
NIST Chemistry WebBook
Gmelin:201189
Gmelin
Reaxys:1723800
Reaxys
(2R)-2-aminopentanedioic acid
IUPAC
D-Glutamic acid
KEGG_COMPOUND
D-glutamic acid
IUPAC
(R)-2-aminopentanedioic acid
ChEBI
D-2-Aminoglutaric acid
KEGG_COMPOUND
D-Glutaminic acid
KEGG_COMPOUND
D-Glutaminsaeure
ChEBI
DGL
PDBeChem
glutamic acid D-form
ChemIDplus
An oxo carboxylic acid that is pyruvic acid in which one of the methyl hydrogens is substituted by a 4-hydroxyphenyl group.
0
C9H8O4
InChI=1S/C9H8O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,10H,5H2,(H,12,13)
KKADPXVIOXHVKN-UHFFFAOYSA-N
180.15742
180.04226
OC(=O)C(=O)Cc1ccc(O)cc1
CHEBI:1431
CHEBI:20426
CHEBI:42422
Beilstein:2691632
CAS:156-39-8
DrugBank:DB07718
HMDB:HMDB0000707
KEGG:C01179
KNApSAcK:C00007512
MetaCyc:P-HYDROXY-PHENYLPYRUVATE
PDBeChem:ENO
PMID:11073718
PMID:9106023
Reaxys:2691632
3-(4-hydroxyphenyl)-2-oxopropanoic acid
chebi_ontology
(p-hydroxyphenyl)pyruvic acid
3-(4-HYDROXY-PHENYL)PYRUVIC ACID
3-(4-hydroxyphenyl)pyruvic acid
3-(p-hydroxyphenyl)-2-oxopropanoic acid
4-hydroxy alpha-oxobenzenepropanoic acid
4-hydroxyphenylpyruvic acid
p-Hydroxyphenylpyruvic acid
CHEBI:15999
(4-hydroxyphenyl)pyruvic acid
Beilstein:2691632
Beilstein
CAS:156-39-8
ChemIDplus
CAS:156-39-8
KEGG COMPOUND
CAS:156-39-8
NIST Chemistry WebBook
PMID:11073718
Europe PMC
PMID:9106023
Europe PMC
Reaxys:2691632
Reaxys
3-(4-hydroxyphenyl)-2-oxopropanoic acid
IUPAC
(p-hydroxyphenyl)pyruvic acid
NIST_Chemistry_WebBook
3-(4-HYDROXY-PHENYL)PYRUVIC ACID
PDBeChem
3-(4-hydroxyphenyl)pyruvic acid
ChEBI
3-(p-hydroxyphenyl)-2-oxopropanoic acid
NIST_Chemistry_WebBook
4-hydroxy alpha-oxobenzenepropanoic acid
ChemIDplus
4-hydroxyphenylpyruvic acid
ChEBI
p-Hydroxyphenylpyruvic acid
KEGG_COMPOUND
An optically active form of lactate having (R)-configuration.
-1
C3H5O3
InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m1/s1
JVTAAEKCZFNVCJ-UWTATZPHSA-M
89.07000
89.02442
C[C@@H](O)C([O-])=O
CHEBI:11001
CHEBI:18684
Beilstein:4655978
Gmelin:362716
KEGG:C00256
MetaCyc:D-LACTATE
Reaxys:4655978
(2R)-2-hydroxypropanoate
(R)-lactate
chebi_ontology
D-2-hydroxypropanoate
D-2-hydroxypropionate
D-lactate
CHEBI:16004
(R)-lactate
Beilstein:4655978
Beilstein
Gmelin:362716
Gmelin
Reaxys:4655978
Reaxys
(2R)-2-hydroxypropanoate
IUPAC
(R)-lactate
UniProt
D-2-hydroxypropanoate
ChEBI
D-2-hydroxypropionate
ChEBI
D-lactate
ChEBI
An oxoproline having the oxo group placed at the 5-position. It is an intermediate metabolite in the glutathione cycle.
0
C5H7NO3
InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)
ODHCTXKNWHHXJC-UHFFFAOYSA-N
129.11400
129.04259
OC(=O)C1CCC(=O)N1
CHEBI:12157
CHEBI:20624
CHEBI:2116
CHEBI:44943
Beilstein:82131
CAS:149-87-1
PMID:17439666
PMID:22770225
PMID:23217740
Reaxys:82131
Wikipedia:Pyroglutamic_acid
5-OXOPROLINE
5-Oxoproline
5-oxoproline
5-oxopyrrolidine-2-carboxylic acid
chebi_ontology
2-pyrrolidone-5-carboxylic acid
5-Pyrrolidone-2-carboxylic acid
5-oxo-DL-proline
Glp
Pyroglutamate
Pyroglutamic acid
CHEBI:16010
5-oxoproline
Beilstein:82131
Beilstein
CAS:149-87-1
ChemIDplus
CAS:149-87-1
NIST Chemistry WebBook
PMID:17439666
Europe PMC
PMID:22770225
Europe PMC
PMID:23217740
Europe PMC
Reaxys:82131
Reaxys
5-OXOPROLINE
PDBeChem
5-Oxoproline
KEGG_COMPOUND
5-oxoproline
IUPAC
5-oxopyrrolidine-2-carboxylic acid
IUPAC
2-pyrrolidone-5-carboxylic acid
ChEBI
5-Pyrrolidone-2-carboxylic acid
KEGG_COMPOUND
5-oxo-DL-proline
ChEBI
Glp
IUPAC
Pyroglutamate
KEGG_COMPOUND
Pyroglutamic acid
KEGG_COMPOUND
An optically active form of glutamic acid having L-configuration.
0
C5H9NO4
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
WHUUTDBJXJRKMK-VKHMYHEASA-N
147.12930
147.05316
N[C@@H](CCC(O)=O)C(O)=O
CHEBI:21304
CHEBI:42825
CHEBI:6224
BPDB:2297
Beilstein:1723801
CAS:56-86-0
DrugBank:DB00142
Drug_Central:1310
Gmelin:3502
HMDB:HMDB0000148
KEGG:C00025
KEGG:D00007
KNApSAcK:C00001358
LINCS:LSM-36375
MetaCyc:GLT
PDBeChem:GLU_LFOH
PMID:15739367
PMID:15930465
PMID:16719819
PMID:16892196
PMID:19581495
PMID:22219301
PMID:22735334
Reaxys:1723801
Wikipedia:L-Glutamic_Acid
(2S)-2-aminopentanedioic acid
L-Glutamic acid
L-glutamic acid
chebi_ontology
(S)-2-aminopentanedioic acid
(S)-glutamic acid
E
GLUTAMIC ACID
Glu
Glutamate
L-Glu
L-Glutaminic acid
L-Glutaminsaeure
acide glutamique
acido glutamico
acidum glutamicum
glutamic acid
CHEBI:16015
L-glutamic acid
Beilstein:1723801
Beilstein
CAS:56-86-0
ChemIDplus
CAS:56-86-0
KEGG COMPOUND
CAS:56-86-0
NIST Chemistry WebBook
Drug_Central:1310
DrugCentral
Gmelin:3502
Gmelin
PMID:15739367
Europe PMC
PMID:15930465
Europe PMC
PMID:16719819
Europe PMC
PMID:16892196
Europe PMC
PMID:19581495
Europe PMC
PMID:22219301
Europe PMC
PMID:22735334
Europe PMC
Reaxys:1723801
Reaxys
(2S)-2-aminopentanedioic acid
IUPAC
L-Glutamic acid
KEGG_COMPOUND
L-glutamic acid
IUPAC
(S)-2-aminopentanedioic acid
ChEBI
(S)-glutamic acid
NIST_Chemistry_WebBook
E
ChEBI
GLUTAMIC ACID
PDBeChem
Glu
ChEBI
Glutamate
KEGG_COMPOUND
L-Glu
ChEBI
L-Glutaminic acid
KEGG_COMPOUND
L-Glutaminsaeure
ChEBI
acide glutamique
ChEBI
acido glutamico
ChEBI
acidum glutamicum
ChEBI
glutamic acid
ChEBI
A mannose with D-configuration.
0
C6H12O6
180.15588
180.06339
CHEBI:12999
CHEBI:21057
D-manno-hexose
D-mannose
chebi_ontology
CHEBI:16024
D-mannose
D-manno-hexose
IUPAC
D-mannose
IUPAC
A monoatomic monoanion resulting from the addition of an electron to any halogen atom.
-1
X
0.0
0.0
[*-]
CHEBI:14384
CHEBI:5605
KEGG:C00462
halide ions
chebi_ontology
HX
Halide
a halide anion
halide anions
halide(1-)
halides
halogen anion
CHEBI:16042
halide anion
halide ions
IUPAC
HX
KEGG_COMPOUND
Halide
KEGG_COMPOUND
a halide anion
UniProt
halide anions
ChEBI
halide(1-)
ChEBI
halides
ChEBI
halogen anion
ChEBI
An anhydro sugar of D-glucitol.
0
C6H12O5
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
MPCAJMNYNOGXPB-SLPGGIOYSA-N
164.15648
164.06847
OC[C@H]1OC[C@H](O)[C@@H](O)[C@@H]1O
CHEBI:11176
CHEBI:18943
CHEBI:40816
CHEBI:550
CAS:154-58-5
HMDB:HMDB0002712
KEGG:C07326
PDBeChem:ASO
PMID:15277408
PMID:18492944
PMID:19796288
Reaxys:80736
Wikipedia:1,5-Anhydroglucitol
(2R,3S,4R,5S)-2-(hydroxymethyl)oxane-3,4,5-triol
1,5-Anhydro-D-glucitol
1,5-anhydro-D-glucitol
chebi_ontology
1,5-ANHYDROSORBITOL
1,5-Anhydro-D-sorbitol
1,5-Anhydroglucitol
1,5-anhydro-D-sorbitol
1,5-anhydroglucitol
CHEBI:16070
1,5-anhydro-D-glucitol
CAS:154-58-5
ChemIDplus
CAS:154-58-5
KEGG COMPOUND
PMID:15277408
Europe PMC
PMID:18492944
Europe PMC
PMID:19796288
Europe PMC
Reaxys:80736
Reaxys
(2R,3S,4R,5S)-2-(hydroxymethyl)oxane-3,4,5-triol
IUPAC
1,5-Anhydro-D-glucitol
KEGG_COMPOUND
1,5-anhydro-D-glucitol
ChEBI
1,5-anhydro-D-glucitol
UniProt
1,5-ANHYDROSORBITOL
PDBeChem
1,5-Anhydro-D-sorbitol
KEGG_COMPOUND
1,5-Anhydroglucitol
KEGG_COMPOUND
1,5-anhydro-D-sorbitol
ChEBI
1,5-anhydroglucitol
ChEBI
A gamma-amino acid comprising 4-aminobutyric acid having a 2-hydroxy substituent.
0
C4H9NO3
InChI=1S/C4H9NO3/c5-2-3(6)1-4(7)8/h3,6H,1-2,5H2,(H,7,8)
YQGDEPYYFWUPGO-UHFFFAOYSA-N
119.11920
119.05824
NCC(O)CC(O)=O
CHEBI:1780
CHEBI:20311
Beilstein:1721708
Beilstein:1752568
CAS:352-21-6
Drug_Central:1263
KEGG:C03678
KEGG:D00174
4-amino-3-hydroxybutanoic acid
gamma-Amino-beta-hydroxybutyric acid
chebi_ontology
3-hydroxy-GABA
4-Amino-3-hydroxybutanoic acid
4-amino-3-hydroxybutyric acid
GABOB
CHEBI:16080
gamma-amino-beta-hydroxybutyric acid
Beilstein:1721708
Beilstein
Beilstein:1752568
Beilstein
CAS:352-21-6
ChemIDplus
CAS:352-21-6
KEGG COMPOUND
Drug_Central:1263
DrugCentral
4-amino-3-hydroxybutanoic acid
IUPAC
gamma-Amino-beta-hydroxybutyric acid
KEGG_COMPOUND
3-hydroxy-GABA
ChemIDplus
4-Amino-3-hydroxybutanoic acid
KEGG_COMPOUND
4-amino-3-hydroxybutyric acid
ChemIDplus
GABOB
KEGG_COMPOUND
A divalent inorganic anion obtained by removal of both protons from thiosulfuric acid.
-2
O3S2
InChI=1S/H2O3S2/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
DHCDFWKWKRSZHF-UHFFFAOYSA-L
112.13020
111.92998
[O-]S([S-])(=O)=O
CHEBI:15242
CHEBI:45922
CHEBI:9569
CAS:14383-50-7
Gmelin:2031
PDBeChem:THJ
sulfurothioate
thiosulfate
trioxidosulfidosulfate(2-)
chebi_ontology
Hyposulfite
S2O3
S2O3(2-)
TETRATHIONATE
Thiosulfate
[SO3S](2-)
thiosulfate ion(2-)
thiosulphate
trioxido-1kappa(3)O-disulfate(S--S)(2-)
CHEBI:16094
thiosulfate(2-)
CAS:14383-50-7
ChemIDplus
Gmelin:2031
Gmelin
sulfurothioate
IUPAC
thiosulfate
IUPAC
trioxidosulfidosulfate(2-)
IUPAC
Hyposulfite
KEGG_COMPOUND
S2O3
ChEBI
S2O3(2-)
IUPAC
TETRATHIONATE
PDBeChem
Thiosulfate
KEGG_COMPOUND
[SO3S](2-)
IUPAC
thiosulfate ion(2-)
ChemIDplus
thiosulphate
ChemIDplus
trioxido-1kappa(3)O-disulfate(S--S)(2-)
IUPAC
A cholestanoid consisting of cholestane having a double bond at the 5,6-position as well as a 3beta-hydroxy group.
0
C27H46O
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
HVYWMOMLDIMFJA-DPAQBDIFSA-N
386.655
386.35487
C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC=C2C[C@H](C1)O)[H])(CC[C@@]4([C@H](C)CCCC(C)C)[H])[H])C)[H])C
CHEBI:13982
CHEBI:23204
CHEBI:3659
CHEBI:41564
Beilstein:2060565
CAS:57-88-5
DrugBank:DB04540
Gmelin:550297
HMDB:HMDB0000067
KEGG:C00187
KEGG:D00040
KNApSAcK:C00003648
LIPID_MAPS_instance:LMST01010001
MetaCyc:CHOLESTEROL
PDBeChem:CLR
PMID:10901445
PMID:11412894
PMID:16341241
PMID:24287311
PMID:25308664
PMID:25451949
PMID:25522988
PMID:25658343
PMID:25977713
PMID:4696527
PMID:8838010
Reaxys:2060565
Wikipedia:Cholesterol
CHOLESTEROL
Cholesterol
cholest-5-en-3beta-ol
cholesterol
chebi_ontology
(3beta,14beta,17alpha)-cholest-5-en-3-ol
Cholest-5-en-3beta-ol
Cholesterin
CHEBI:16113
cholesterol
Beilstein:2060565
Beilstein
CAS:57-88-5
ChemIDplus
CAS:57-88-5
KEGG COMPOUND
CAS:57-88-5
NIST Chemistry WebBook
Gmelin:550297
Gmelin
LIPID_MAPS_instance:LMST01010001
LIPID MAPS
PMID:10901445
Europe PMC
PMID:11412894
Europe PMC
PMID:16341241
Europe PMC
PMID:24287311
Europe PMC
PMID:25308664
Europe PMC
PMID:25451949
Europe PMC
PMID:25522988
Europe PMC
PMID:25658343
Europe PMC
PMID:25977713
Europe PMC
PMID:4696527
Europe PMC
PMID:8838010
Europe PMC
Reaxys:2060565
Reaxys
CHOLESTEROL
PDBeChem
Cholesterol
KEGG_COMPOUND
cholest-5-en-3beta-ol
IUPAC
cholesterol
UniProt
(3beta,14beta,17alpha)-cholest-5-en-3-ol
IUPAC
Cholest-5-en-3beta-ol
KEGG_COMPOUND
Cholesterin
NIST_Chemistry_WebBook
An azane that consists of a single nitrogen atom covelently bonded to three hydrogen atoms.
0
H3N
InChI=1S/H3N/h1H3
QGZKDVFQNNGYKY-UHFFFAOYSA-N
17.03056
17.02655
[H]N([H])[H]
CHEBI:13405
CHEBI:13406
CHEBI:13407
CHEBI:13771
CHEBI:22533
CHEBI:44269
CHEBI:44284
CHEBI:44404
CHEBI:7434
Beilstein:3587154
CAS:7664-41-7
Drug_Central:4625
Gmelin:79
HMDB:HMDB0000051
KEGG:C00014
KEGG:D02916
KNApSAcK:C00007267
MetaCyc:AMMONIA
MolBase:930
PDBeChem:NH3
PMID:110589
PMID:11139349
PMID:11540049
PMID:11746427
PMID:11783653
PMID:13753780
PMID:14663195
PMID:15092448
PMID:15094021
PMID:15554424
PMID:15969015
PMID:16008360
PMID:16050680
PMID:16348008
PMID:16349403
PMID:16614889
PMID:16664306
PMID:16842901
PMID:17025297
PMID:17439666
PMID:17569513
PMID:17737668
PMID:18670398
PMID:22002069
PMID:22081570
PMID:22088435
PMID:22100291
PMID:22130175
PMID:22150211
PMID:22240068
PMID:22290316
PMID:22342082
PMID:22385337
PMID:22443779
PMID:22560242
Reaxys:3587154
Wikipedia:Ammonia
AMMONIA
Ammonia
ammonia
azane
chebi_ontology
Ammoniak
NH3
R-717
[NH3]
ammoniac
amoniaco
spirit of hartshorn
CHEBI:16134
ammonia
Beilstein:3587154
Beilstein
CAS:7664-41-7
ChemIDplus
CAS:7664-41-7
KEGG COMPOUND
CAS:7664-41-7
NIST Chemistry WebBook
Drug_Central:4625
DrugCentral
Gmelin:79
Gmelin
PMID:110589
Europe PMC
PMID:11139349
Europe PMC
PMID:11540049
Europe PMC
PMID:11746427
Europe PMC
PMID:11783653
Europe PMC
PMID:13753780
Europe PMC
PMID:14663195
Europe PMC
PMID:15092448
Europe PMC
PMID:15094021
Europe PMC
PMID:15554424
Europe PMC
PMID:15969015
Europe PMC
PMID:16008360
Europe PMC
PMID:16050680
Europe PMC
PMID:16348008
Europe PMC
PMID:16349403
Europe PMC
PMID:16614889
Europe PMC
PMID:16664306
Europe PMC
PMID:16842901
Europe PMC
PMID:17025297
Europe PMC
PMID:17439666
Europe PMC
PMID:17569513
Europe PMC
PMID:17737668
Europe PMC
PMID:18670398
Europe PMC
PMID:22002069
Europe PMC
PMID:22081570
Europe PMC
PMID:22088435
Europe PMC
PMID:22100291
Europe PMC
PMID:22130175
Europe PMC
PMID:22150211
Europe PMC
PMID:22240068
Europe PMC
PMID:22290316
Europe PMC
PMID:22342082
Europe PMC
PMID:22385337
Europe PMC
PMID:22443779
Europe PMC
PMID:22560242
Europe PMC
Reaxys:3587154
Reaxys
AMMONIA
PDBeChem
Ammonia
KEGG_COMPOUND
ammonia
IUPAC
azane
IUPAC
Ammoniak
ChemIDplus
NH3
IUPAC
NH3
KEGG_COMPOUND
NH3
UniProt
R-717
ChEBI
[NH3]
MolBase
ammoniac
ChEBI
amoniaco
ChEBI
spirit of hartshorn
ChemIDplus
A branched fatty acid comprising propanoic acid carrying a methyl branch at C-2.
0
C4H8O2
InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)
KQNPFQTWMSNSAP-UHFFFAOYSA-N
88.10512
88.05243
CC(C)C(O)=O
CHEBI:1212
CHEBI:19710
CHEBI:25337
CHEBI:40653
CHEBI:43397
BPDB:3128
Beilstein:635770
CAS:79-31-2
DrugBank:DB02531
Gmelin:49630
HMDB:HMDB0001873
KEGG:C02632
KNApSAcK:C00029462
LIPID_MAPS_instance:LMFA01020071
MetaCyc:ISOBUTYRATE
PDBeChem:ALQ
PMID:10757489
PMID:17580301
PMID:17877388
PPDB:3128
Reaxys:635770
UM-BBD_compID:c0383
Wikipedia:Isobuty