]> Anoosha Sehar Damion Dooley Diane Alexander Emma Griffiths Gurinder Gosal Hande Küçük McGinty Lauren Chen Magalie Weber Rhiannon Cameron 2021-11-25 FoodOn (http://foodon.org) is a consortium-driven project to build a comprehensive and easily accessible global farm-to-fork ontology about food, that accurately and consistently describes foods commonly known in cultures from around the world. Food Ontology FOODON Relates an entity in the ontology to the name of the variable that is used to represent it in the code that generates the BFO OWL file from the lispy specification. Really of interest to developers only BFO OWL specification label Relates an entity in the ontology to the term that is used to represent it in the the CLIF specification of BFO2 Person:Alan Ruttenberg Really of interest to developers only BFO CLIF specification label The user interface label is the label that should be placed on a datum when presented on a form or report Damion Dooley user interface label user interface definition A user interface feature is a pre-set list of features and their acceptable values that a user interface rendering system should use to display an entity on a form or report Damion Dooley user interface feature editor preferred label The concise, meaningful, and human-friendly name for a class or property preferred by the ontology developers. (US-English) GROUP:OBI:<http://purl.obolibrary.org/obo/obi> editor preferred label editor preferred label editor preferred term editor preferred term editor preferred term~editor preferred label example of usage has curation status OBI_0000281 has curation status definition The official OBI definition, explaining the meaning of a class or property. Shall be Aristotelian, formalized and normalized. Can be augmented with colloquial definitions. The official definition, explaining the meaning of a class or property. Shall be Aristotelian, formalized and normalized. Can be augmented with colloquial definitions. GROUP:OBI:<http://purl.obolibrary.org/obo/obi> definition definition textual definition editor note term editor alternative term definition source formal citation, e.g. identifier in external database to indicate / attribute source(s) for the definition. Free text indicate / attribute source(s) for the definition. EXAMPLE: Author Name, URI, MeSH Term C04, PUBMED ID, Wiki uri on 31.01.2007 Discussion on obo-discuss mailing-list, see http://bit.ly/hgm99w GROUP:OBI:<http://purl.obolibrary.org/obo/obi> definition source has obsolescence reason Relates an annotation property to an obsolescence reason. The values of obsolescence reasons come from a list of predefined terms, instances of the class obsolescence reason specification. PERSON:Alan Ruttenberg PERSON:Melanie Courtot has obsolescence reason curator note imported from elucidation has associated axiom(nl) has associated axiom(fol) has axiom label term replaced by Add as annotation triples in the granting ontology Use on obsolete terms, relating the term to another term that can be used as a substitute Person:Alan Ruttenberg Person:Alan Ruttenberg term replaced by An image of the item. ,In Protege, this can be a URL. has broad synonym database cross reference has narrow synonym has synonym label is part of a core relation that holds between a part and its whole part of part of part_of has part a core relation that holds between a whole and its part has part has_part realized in realized in realizes realizes preceded by preceded_by has food substance analog obsolete - has taxonomic identifier true A defining ingredient defines what a food is principally categorized as, rather than an ingredient listed by percentage of weight or volume. A food may have more than one defining ingredient. Damion Dooley FoodOn For example, 'bean soup' has a defining ingredient of some 'bean (whole)'. Similarly, spicy chicken wings require a defining ingredient of (usually minute) amounts of chilli. A soup may 'has ingredient' some bean, but that doesn't make it a 'bean soup', i.e. there should be no inference to that category. However, some classes may have that simple ingredient "necessary and sufficient" equivalency. has defining ingredient A relation attaching between a food material and another food material that has been added to it at some point in its history. Damion Dooley FoodOn has ingredient has country of origin hasCountryOfOrigin A (currently) primitive relation that relates an information artifact to an entity. Smith, Ceusters, Ruttenberg, 2000 years of philosophy is about denotes has_specified_input has_specified_input see is_input_of example_of_usage A relation between a planned process and a continuant participating in that process that is not created during the process. The presence of the continuant during the process is explicitly specified in the plan specification which the process realizes the concretization of. 8/17/09: specified inputs of one process are not necessarily specified inputs of a larger process that it is part of. This is in contrast to how 'has participant' works. PERSON: Alan Ruttenberg PERSON: Bjoern Peters PERSON: Larry Hunter PERSON: Melanie Coutot has_specified_input is_specified_input_of some Autologous EBV(Epstein-Barr virus)-transformed B-LCL (B lymphocyte cell line) is_input_for instance of Chromum Release Assay described at https://wiki.cbil.upenn.edu/obiwiki/index.php/Chromium_Release_assay A relation between a planned process and a continuant participating in that process that is not created during the process. The presence of the continuant during the process is explicitly specified in the plan specification which the process realizes the concretization of. Alan Ruttenberg PERSON:Bjoern Peters is_specified_input_of has_specified_output has_specified_output A relation between a planned process and a continuant participating in that process. The presence of the continuant at the end of the process is explicitly specified in the objective specification which the process realizes the concretization of. PERSON: Alan Ruttenberg PERSON: Bjoern Peters PERSON: Larry Hunter PERSON: Melanie Courtot has_specified_output is_specified_output_of is_specified_output_of A relation between a planned process and a continuant participating in that process. The presence of the continuant at the end of the process is explicitly specified in the objective specification which the process realizes the concretization of. Alan Ruttenberg PERSON:Bjoern Peters is_specified_output_of specifies value of A relation between a value specification and an entity which the specification is about. A relation between a value specification and an entity which the specification is about. specifies value of specifies value of inheres in a relation between a specifically dependent continuant (the characteristic) and any other entity (the bearer), in which the characteristic depends on the bearer for its existence. 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 characteristic of inheres in bearer of Inverse of characteristic_of has characteristic 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 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 has_participant a relation between a function and an independent continuant (the bearer), in which the function specifically depends on the bearer for its existence function of a relation between a quality and an independent continuant (the bearer), in which the quality specifically depends on the bearer for its existence quality of a relation between a role and an independent continuant (the bearer), in which the role specifically depends on the bearer for its existence role of a relation between an independent continuant (the bearer) and a function, in which the function specifically depends on the bearer for its existence has function a relation between an independent continuant (the bearer) and a quality, in which the quality specifically depends on the bearer for its existence has quality a relation between an independent continuant (the bearer) and a role, in which the role specifically depends on the bearer for its existence has role inverse of has disposition disposition of a relation between two distinct material entities, the new entity and the old entity, in which the new entity begins to exist when the old entity ceases to exist, and the new entity inherits the significant portion of the matter of the old entity derives from a relation between two distinct material entities, the old entity and the new entity, in which the new entity begins to exist when the old entity ceases to exist, and the new entity inherits the significant portion of the matter of the old entity derives into A relation between a material entity and a condition (a phenotype or disease) of a host, in which the material entity is not part of the host, and is considered harmless to non-allergic hosts, and the condition results in pathological processes that include an abnormally strong immune response against the material entity. is allergic trigger for A relation between a condition (a phenotype or disease) of a host and a material entity, in which the material entity is not part of the host, and is considered harmless to non-allergic hosts, and the condition results in pathological processes that include an abnormally strong immune response against the material entity. has allergic trigger located in a relation between two independent continuants, the target and the location, in which the target is entirely within the location located in located_in x overlaps y if and only if there exists some z such that x has part z and z part of y overlaps only in taxon only_in_taxon x is in taxon y if an only if y is an organism, and the relationship between x and y is one of: part of (reflexive), developmentally preceded by, derives from, secreted by, expressed. in taxon A is spatially_disjoint_from B if and only if they have no parts in common spatially disjoint from 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 connected to 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 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. has component develops from develops from develops_from 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. 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. capable of part of x surrounded_by y if and only if (1) x is adjacent to y and for every region r that is adjacent to x, r overlaps y (2) the shared boundary between x and y occupies the majority of the outermost boundary of x surrounded by x adjacent to y if and only if x and y share a boundary. adjacent to inverse of surrounded by surrounds temporally related to x starts with y if and only if x has part y and the time point at which x starts is equivalent to the time point at which y starts. Formally: α(y) = α(x) ∧ ω(y) < ω(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. starts with x ends with y if and only if x has part y and the time point at which x ends is equivalent to the time point at which y ends. Formally: α(y) > α(x) ∧ ω(y) = ω(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. 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. has input p has output c iff c is a participant in p, c is present at the end of p, and c is not present at the beginning of p. has output q characteristic of part of w if and only if there exists some p such that q inheres in p and p part of w. characteristic of part of A relationship that holds via some environmental process evolutionarily related to A mereological relationship or a topological relationship mereotopologically related to A grouping relationship for any relationship directly involving a function, or that holds because of a function of one of the related entities. functionally related to An organism that is a member of a population of organisms is member of is a mereological relation between a item and a collection. is member of member part of SIO member of has member is a mereological relation between a collection and an item. SIO has member inverse of has input input of inverse of has output output of formed as result 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 attached to This relation groups causal relations between material entities and causal relations between processes causally related to eats x composed_primarily_of y if and only if more than half of the mass of x is made from y or units of the same type as y. composed primarily of 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 depends on A relation that holds between elements of a musculoskeletal system or its analogs. biomechanically related to 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. causal relation between material entity and a process Inverse of 'causal agent in process' process has causal agent a produced_by b iff some process that occurs_in b has_output a. produced by A relationship between an entity (e.g. a genotype, genetic variation, chemical, or environmental exposure) and a condition (a phenotype or disease), where the entity has some causal or contributing role that influences the condition. causes or contributes to condition "has substance added" is a relation existing between a (physical) entity and a substance in which the entity has had the substance added to it at some point in time. Damion Dooley has substance added 'egg white' 'has substance removed' some 'egg yolk' "has substance removed" is a relation existing between two physical entities in which the first entity has had the second entity (a substance) removed from it at some point in time. Damion Dooley has substance removed "immersed in" is a relation between a (physical) entity and a fluid substance in which the entity is wholely or substantially surrounded by the substance. immersed in 'has consumer' is a relation between a material entity and an organism in which the former can normally be digested or otherwise absorbed by the latter without immediate or persistent ill effect. has consumer 'has primary substance added' indicates that an entity has had the given substance added to it in a proportion greater than any other added substance. has primary substance added Relation between biological objects that resemble or are related to each other sufficiently to warrant a comparison. in similarity relationship with is related to has quantity A statement that defines conventions, guidelines, characteristics or methods for consistent data handling to facilitate exchange or processing of the data. This set of criteria are reviewed by and agreed upon by the user community or a governing body before they are released and adopted for use. data standard A planned process in which the useful part or parts of the plant are gathered. https://orcid.org/0000-0001-6284-4821 harvest harvesting The usefulness of the part or parts of the plant depends on the criteria set by the agent of the harvesting process. plant harvesting process A process during which some material is applied to a subject treatment Location where the experiment is implemented. experimental site An experimental site in which the experiment is performed in a structure with walls and roof made chiefly of transparent material, such as glass, with the possibility to regulate climatic conditions. hothouse screenhouse glasshouse greenhouse A planned process which occurs during an agricultural experiment. agricultural process A planned process during which the environment of a crop plant is maintained such that the plant grows crop cultivation process creating a data set A planned process that has a data set as its specified output. dataset creating entity Entity entity Julius Caesar Verdi’s Requiem the Second World War your body mass index BFO 2 Reference: In all areas of empirical inquiry we encounter general terms of two sorts. First are general terms which refer to universals or types:animaltuberculosissurgical procedurediseaseSecond, are general terms used to refer to groups of entities which instantiate a given universal but do not correspond to the extension of any subuniversal of that universal because there is nothing intrinsic to the entities in question by virtue of which they – and only they – are counted as belonging to the given group. Examples are: animal purchased by the Emperortuberculosis diagnosed on a Wednesdaysurgical procedure performed on a patient from Stockholmperson identified as candidate for clinical trial #2056-555person who is signatory of Form 656-PPVpainting by Leonardo da VinciSuch terms, which represent what are called ‘specializations’ in [81 Entity doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. For example Werner Ceusters 'portions of reality' include 4 sorts, entities (as BFO construes them), universals, configurations, and relations. It is an open question as to whether entities as construed in BFO will at some point also include these other portions of reality. See, for example, 'How to track absolutely everything' at http://www.referent-tracking.com/_RTU/papers/CeustersICbookRevised.pdf An entity is anything that exists or has existed or will exist. (axiom label in BFO2 Reference: [001-001]) entity entity Entity doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. For example Werner Ceusters 'portions of reality' include 4 sorts, entities (as BFO construes them), universals, configurations, and relations. It is an open question as to whether entities as construed in BFO will at some point also include these other portions of reality. See, for example, 'How to track absolutely everything' at http://www.referent-tracking.com/_RTU/papers/CeustersICbookRevised.pdf per discussion with Barry Smith An entity is anything that exists or has existed or will exist. (axiom label in BFO2 Reference: [001-001]) continuant Continuant continuant 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. 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. BFO 2 Reference: Continuant entities are entities which can be sliced to yield parts only along the spatial dimension, yielding for example the parts of your table which we call its legs, its top, its nails. ‘My desk stretches from the window to the door. It has spatial parts, and can be sliced (in space) in two. With respect to time, however, a thing is a continuant.’ [60, p. 240 Continuant doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. For example, in an expansion involving bringing in some of Ceuster's other portions of reality, questions are raised as to whether universals are continuants A continuant is an entity that persists, endures, or continues to exist through time while maintaining its identity. (axiom label in BFO2 Reference: [008-002]) if b is a continuant and if, for some t, c has_continuant_part b at t, then c is a continuant. (axiom label in BFO2 Reference: [126-001]) if b is a continuant and if, for some t, cis continuant_part of b at t, then c is a continuant. (axiom label in BFO2 Reference: [009-002]) if b is a material entity, then there is some temporal interval (referred to below as a one-dimensional temporal region) during which b exists. (axiom label in BFO2 Reference: [011-002]) (forall (x y) (if (and (Continuant x) (exists (t) (continuantPartOfAt y x t))) (Continuant y))) // axiom label in BFO2 CLIF: [009-002] (forall (x y) (if (and (Continuant x) (exists (t) (hasContinuantPartOfAt y x t))) (Continuant y))) // axiom label in BFO2 CLIF: [126-001] (forall (x) (if (Continuant x) (Entity x))) // axiom label in BFO2 CLIF: [008-002] (forall (x) (if (Material Entity x) (exists (t) (and (TemporalRegion t) (existsAt x t))))) // axiom label in BFO2 CLIF: [011-002] continuant continuant (forall (x y) (if (and (Continuant x) (exists (t) (hasContinuantPartOfAt y x t))) (Continuant y))) // axiom label in BFO2 CLIF: [126-001] (forall (x) (if (Continuant x) (Entity x))) // axiom label in BFO2 CLIF: [008-002] (forall (x) (if (Material Entity x) (exists (t) (and (TemporalRegion t) (existsAt x t))))) // axiom label in BFO2 CLIF: [011-002] Continuant doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. For example, in an expansion involving bringing in some of Ceuster's other portions of reality, questions are raised as to whether universals are continuants A continuant is an entity that persists, endures, or continues to exist through time while maintaining its identity. (axiom label in BFO2 Reference: [008-002]) if b is a continuant and if, for some t, c has_continuant_part b at t, then c is a continuant. (axiom label in BFO2 Reference: [126-001]) if b is a continuant and if, for some t, cis continuant_part of b at t, then c is a continuant. (axiom label in BFO2 Reference: [009-002]) if b is a material entity, then there is some temporal interval (referred to below as a one-dimensional temporal region) during which b exists. (axiom label in BFO2 Reference: [011-002]) (forall (x y) (if (and (Continuant x) (exists (t) (continuantPartOfAt y x t))) (Continuant y))) // axiom label in BFO2 CLIF: [009-002] occurrent Occurrent An entity that has temporal parts and that happens, unfolds or develops through time. An entity that has temporal parts and that happens, unfolds or develops through time. BFO 2 Reference: every occurrent that is not a temporal or spatiotemporal region is s-dependent on some independent continuant that is not a spatial region BFO 2 Reference: s-dependence obtains between every process and its participants in the sense that, as a matter of necessity, this process could not have existed unless these or those participants existed also. A process may have a succession of participants at different phases of its unfolding. Thus there may be different players on the field at different times during the course of a football game; but the process which is the entire game s-depends_on all of these players nonetheless. Some temporal parts of this process will s-depend_on on only some of the players. Occurrent doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. An example would be the sum of a process and the process boundary of another process. Simons uses different terminology for relations of occurrents to regions: Denote the spatio-temporal location of a given occurrent e by 'spn[e]' and call this region its span. We may say an occurrent is at its span, in any larger region, and covers any smaller region. Now suppose we have fixed a frame of reference so that we can speak not merely of spatio-temporal but also of spatial regions (places) and temporal regions (times). The spread of an occurrent, (relative to a frame of reference) is the space it exactly occupies, and its spell is likewise the time it exactly occupies. We write 'spr[e]' and `spl[e]' respectively for the spread and spell of e, omitting mention of the frame. An occurrent is an entity that unfolds itself in time or it is the instantaneous boundary of such an entity (for example a beginning or an ending) or it is a temporal or spatiotemporal region which such an entity occupies_temporal_region or occupies_spatiotemporal_region. (axiom label in BFO2 Reference: [077-002]) Every occurrent occupies_spatiotemporal_region some spatiotemporal region. (axiom label in BFO2 Reference: [108-001]) b is an occurrent entity iff b is an entity that has temporal parts. (axiom label in BFO2 Reference: [079-001]) (forall (x) (if (Occurrent x) (exists (r) (and (SpatioTemporalRegion r) (occupiesSpatioTemporalRegion x r))))) // axiom label in BFO2 CLIF: [108-001] (forall (x) (iff (Occurrent x) (and (Entity x) (exists (y) (temporalPartOf y x))))) // axiom label in BFO2 CLIF: [079-001] occurrent occurrent Occurrent doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. An example would be the sum of a process and the process boundary of another process. per discussion with Barry Smith Simons uses different terminology for relations of occurrents to regions: Denote the spatio-temporal location of a given occurrent e by 'spn[e]' and call this region its span. We may say an occurrent is at its span, in any larger region, and covers any smaller region. Now suppose we have fixed a frame of reference so that we can speak not merely of spatio-temporal but also of spatial regions (places) and temporal regions (times). The spread of an occurrent, (relative to a frame of reference) is the space it exactly occupies, and its spell is likewise the time it exactly occupies. We write 'spr[e]' and `spl[e]' respectively for the spread and spell of e, omitting mention of the frame. An occurrent is an entity that unfolds itself in time or it is the instantaneous boundary of such an entity (for example a beginning or an ending) or it is a temporal or spatiotemporal region which such an entity occupies_temporal_region or occupies_spatiotemporal_region. (axiom label in BFO2 Reference: [077-002]) Every occurrent occupies_spatiotemporal_region some spatiotemporal region. (axiom label in BFO2 Reference: [108-001]) b is an occurrent entity iff b is an entity that has temporal parts. (axiom label in BFO2 Reference: [079-001]) (forall (x) (if (Occurrent x) (exists (r) (and (SpatioTemporalRegion r) (occupiesSpatioTemporalRegion x r))))) // axiom label in BFO2 CLIF: [108-001] (forall (x) (iff (Occurrent x) (and (Entity x) (exists (y) (temporalPartOf y x))))) // axiom label in BFO2 CLIF: [079-001] ic IndependentContinuant a chair a heart a leg a molecule a spatial region an atom an orchestra. an organism the bottom right portion of a human torso the interior of your mouth A continuant that is a bearer of quality and realizable entity entities, in which other entities inhere and which itself cannot inhere in anything. A continuant that is a bearer of quality and realizable entity entities, in which other entities inhere and which itself cannot inhere in anything. b is an independent continuant = Def. b is a continuant which is such that there is no c and no t such that b s-depends_on c at t. (axiom label in BFO2 Reference: [017-002]) b is an independent continuant = Def. b is a continuant which is such that there is no c and no t such that b s-depends_on c at t. (axiom label in BFO2 Reference: [017-002]) For any independent continuant b and any time t there is some spatial region r such that b is located_in r at t. (axiom label in BFO2 Reference: [134-001]) For every independent continuant b and time t during the region of time spanned by its life, there are entities which s-depends_on b during t. (axiom label in BFO2 Reference: [018-002]) (forall (x t) (if (IndependentContinuant x) (exists (r) (and (SpatialRegion r) (locatedInAt x r t))))) // axiom label in BFO2 CLIF: [134-001] (forall (x t) (if (and (IndependentContinuant x) (existsAt x t)) (exists (y) (and (Entity y) (specificallyDependsOnAt y x t))))) // axiom label in BFO2 CLIF: [018-002] (iff (IndependentContinuant a) (and (Continuant a) (not (exists (b t) (specificallyDependsOnAt a b t))))) // axiom label in BFO2 CLIF: [017-002] independent continuant independent continuant b is an independent continuant = Def. b is a continuant which is such that there is no c and no t such that b s-depends_on c at t. (axiom label in BFO2 Reference: [017-002]) For any independent continuant b and any time t there is some spatial region r such that b is located_in r at t. (axiom label in BFO2 Reference: [134-001]) For every independent continuant b and time t during the region of time spanned by its life, there are entities which s-depends_on b during t. (axiom label in BFO2 Reference: [018-002]) (forall (x t) (if (IndependentContinuant x) (exists (r) (and (SpatialRegion r) (locatedInAt x r t))))) // axiom label in BFO2 CLIF: [134-001] (forall (x t) (if (and (IndependentContinuant x) (existsAt x t)) (exists (y) (and (Entity y) (specificallyDependsOnAt y x t))))) // axiom label in BFO2 CLIF: [018-002] (iff (IndependentContinuant a) (and (Continuant a) (not (exists (b t) (specificallyDependsOnAt a b t))))) // axiom label in BFO2 CLIF: [017-002] s-region SpatialRegion BFO 2 Reference: Spatial regions do not participate in processes. Spatial region doesn't have a closure axiom because the subclasses don't exhaust all possibilites. An example would be the union of a spatial point and a spatial line that doesn't overlap the point, or two spatial lines that intersect at a single point. In both cases the resultant spatial region is neither 0-dimensional, 1-dimensional, 2-dimensional, or 3-dimensional. A spatial region is a continuant entity that is a continuant_part_of spaceR as defined relative to some frame R. (axiom label in BFO2 Reference: [035-001]) All continuant parts of spatial regions are spatial regions. (axiom label in BFO2 Reference: [036-001]) (forall (x y t) (if (and (SpatialRegion x) (continuantPartOfAt y x t)) (SpatialRegion y))) // axiom label in BFO2 CLIF: [036-001] (forall (x) (if (SpatialRegion x) (Continuant x))) // axiom label in BFO2 CLIF: [035-001] spatial region Spatial region doesn't have a closure axiom because the subclasses don't exhaust all possibilites. An example would be the union of a spatial point and a spatial line that doesn't overlap the point, or two spatial lines that intersect at a single point. In both cases the resultant spatial region is neither 0-dimensional, 1-dimensional, 2-dimensional, or 3-dimensional. per discussion with Barry Smith A spatial region is a continuant entity that is a continuant_part_of spaceR as defined relative to some frame R. (axiom label in BFO2 Reference: [035-001]) All continuant parts of spatial regions are spatial regions. (axiom label in BFO2 Reference: [036-001]) (forall (x y t) (if (and (SpatialRegion x) (continuantPartOfAt y x t)) (SpatialRegion y))) // axiom label in BFO2 CLIF: [036-001] (forall (x) (if (SpatialRegion x) (Continuant x))) // axiom label in BFO2 CLIF: [035-001] t-region TemporalRegion Temporal region doesn't have a closure axiom because the subclasses don't exhaust all possibilites. An example would be the mereological sum of a temporal instant and a temporal interval that doesn't overlap the instant. In this case the resultant temporal region is neither 0-dimensional nor 1-dimensional A temporal region is an occurrent entity that is part of time as defined relative to some reference frame. (axiom label in BFO2 Reference: [100-001]) All parts of temporal regions are temporal regions. (axiom label in BFO2 Reference: [101-001]) Every temporal region t is such that t occupies_temporal_region t. (axiom label in BFO2 Reference: [119-002]) (forall (r) (if (TemporalRegion r) (occupiesTemporalRegion r r))) // axiom label in BFO2 CLIF: [119-002] (forall (x y) (if (and (TemporalRegion x) (occurrentPartOf y x)) (TemporalRegion y))) // axiom label in BFO2 CLIF: [101-001] (forall (x) (if (TemporalRegion x) (Occurrent x))) // axiom label in BFO2 CLIF: [100-001] temporal region Temporal region doesn't have a closure axiom because the subclasses don't exhaust all possibilites. An example would be the mereological sum of a temporal instant and a temporal interval that doesn't overlap the instant. In this case the resultant temporal region is neither 0-dimensional nor 1-dimensional per discussion with Barry Smith A temporal region is an occurrent entity that is part of time as defined relative to some reference frame. (axiom label in BFO2 Reference: [100-001]) All parts of temporal regions are temporal regions. (axiom label in BFO2 Reference: [101-001]) Every temporal region t is such that t occupies_temporal_region t. (axiom label in BFO2 Reference: [119-002]) (forall (r) (if (TemporalRegion r) (occupiesTemporalRegion r r))) // axiom label in BFO2 CLIF: [119-002] (forall (x y) (if (and (TemporalRegion x) (occurrentPartOf y x)) (TemporalRegion y))) // axiom label in BFO2 CLIF: [101-001] (forall (x) (if (TemporalRegion x) (Occurrent x))) // axiom label in BFO2 CLIF: [100-001] 2d-s-region TwoDimensionalSpatialRegion an infinitely thin plane in space. the surface of a sphere-shaped part of space A two-dimensional spatial region is a spatial region that is of two dimensions. (axiom label in BFO2 Reference: [039-001]) (forall (x) (if (TwoDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [039-001] two-dimensional spatial region A two-dimensional spatial region is a spatial region that is of two dimensions. (axiom label in BFO2 Reference: [039-001]) (forall (x) (if (TwoDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [039-001] st-region SpatiotemporalRegion the spatiotemporal region occupied by a human life the spatiotemporal region occupied by a process of cellular meiosis. the spatiotemporal region occupied by the development of a cancer tumor A spatiotemporal region is an occurrent entity that is part of spacetime. (axiom label in BFO2 Reference: [095-001]) All parts of spatiotemporal regions are spatiotemporal regions. (axiom label in BFO2 Reference: [096-001]) Each spatiotemporal region at any time t projects_onto some spatial region at t. (axiom label in BFO2 Reference: [099-001]) Each spatiotemporal region projects_onto some temporal region. (axiom label in BFO2 Reference: [098-001]) Every spatiotemporal region occupies_spatiotemporal_region itself. Every spatiotemporal region s is such that s occupies_spatiotemporal_region s. (axiom label in BFO2 Reference: [107-002]) (forall (r) (if (SpatioTemporalRegion r) (occupiesSpatioTemporalRegion r r))) // axiom label in BFO2 CLIF: [107-002] (forall (x t) (if (SpatioTemporalRegion x) (exists (y) (and (SpatialRegion y) (spatiallyProjectsOntoAt x y t))))) // axiom label in BFO2 CLIF: [099-001] (forall (x y) (if (and (SpatioTemporalRegion x) (occurrentPartOf y x)) (SpatioTemporalRegion y))) // axiom label in BFO2 CLIF: [096-001] (forall (x) (if (SpatioTemporalRegion x) (Occurrent x))) // axiom label in BFO2 CLIF: [095-001] (forall (x) (if (SpatioTemporalRegion x) (exists (y) (and (TemporalRegion y) (temporallyProjectsOnto x y))))) // axiom label in BFO2 CLIF: [098-001] spatiotemporal region A spatiotemporal region is an occurrent entity that is part of spacetime. (axiom label in BFO2 Reference: [095-001]) All parts of spatiotemporal regions are spatiotemporal regions. (axiom label in BFO2 Reference: [096-001]) Each spatiotemporal region at any time t projects_onto some spatial region at t. (axiom label in BFO2 Reference: [099-001]) Each spatiotemporal region projects_onto some temporal region. (axiom label in BFO2 Reference: [098-001]) Every spatiotemporal region s is such that s occupies_spatiotemporal_region s. (axiom label in BFO2 Reference: [107-002]) (forall (r) (if (SpatioTemporalRegion r) (occupiesSpatioTemporalRegion r r))) // axiom label in BFO2 CLIF: [107-002] (forall (x t) (if (SpatioTemporalRegion x) (exists (y) (and (SpatialRegion y) (spatiallyProjectsOntoAt x y t))))) // axiom label in BFO2 CLIF: [099-001] (forall (x y) (if (and (SpatioTemporalRegion x) (occurrentPartOf y x)) (SpatioTemporalRegion y))) // axiom label in BFO2 CLIF: [096-001] (forall (x) (if (SpatioTemporalRegion x) (Occurrent x))) // axiom label in BFO2 CLIF: [095-001] (forall (x) (if (SpatioTemporalRegion x) (exists (y) (and (TemporalRegion y) (temporallyProjectsOnto x y))))) // axiom label in BFO2 CLIF: [098-001] process Process a process of cell-division, \ a beating of the heart a process of meiosis a process of sleeping the course of a disease the flight of a bird the life of an organism your process of aging. An occurrent that has temporal proper parts and for some time t, p s-depends_on some material entity at t. An occurrent that has temporal proper parts and for some time t, p s-depends_on some material entity at t. p is a process = Def. p is an occurrent that has temporal proper parts and for some time t, p s-depends_on some material entity at t. (axiom label in BFO2 Reference: [083-003]) p is a process = Def. p is an occurrent that has temporal proper parts and for some time t, p s-depends_on some material entity at t. (axiom label in BFO2 Reference: [083-003]) BFO 2 Reference: The realm of occurrents is less pervasively marked by the presence of natural units than is the case in the realm of independent continuants. Thus there is here no counterpart of ‘object’. In BFO 1.0 ‘process’ served as such a counterpart. In BFO 2.0 ‘process’ is, rather, the occurrent counterpart of ‘material entity’. Those natural – as contrasted with engineered, which here means: deliberately executed – units which do exist in the realm of occurrents are typically either parasitic on the existence of natural units on the continuant side, or they are fiat in nature. Thus we can count lives; we can count football games; we can count chemical reactions performed in experiments or in chemical manufacturing. We cannot count the processes taking place, for instance, in an episode of insect mating behavior.Even where natural units are identifiable, for example cycles in a cyclical process such as the beating of a heart or an organism’s sleep/wake cycle, the processes in question form a sequence with no discontinuities (temporal gaps) of the sort that we find for instance where billiard balls or zebrafish or planets are separated by clear spatial gaps. Lives of organisms are process units, but they too unfold in a continuous series from other, prior processes such as fertilization, and they unfold in turn in continuous series of post-life processes such as post-mortem decay. Clear examples of boundaries of processes are almost always of the fiat sort (midnight, a time of death as declared in an operating theater or on a death certificate, the initiation of a state of war) (iff (Process a) (and (Occurrent a) (exists (b) (properTemporalPartOf b a)) (exists (c t) (and (MaterialEntity c) (specificallyDependsOnAt a c t))))) // axiom label in BFO2 CLIF: [083-003] process process p is a process = Def. p is an occurrent that has temporal proper parts and for some time t, p s-depends_on some material entity at t. (axiom label in BFO2 Reference: [083-003]) (iff (Process a) (and (Occurrent a) (exists (b) (properTemporalPartOf b a)) (exists (c t) (and (MaterialEntity c) (specificallyDependsOnAt a c t))))) // axiom label in BFO2 CLIF: [083-003] disposition Disposition an atom of element X has the disposition to decay to an atom of element Y certain people have a predisposition to colon cancer children are innately disposed to categorize objects in certain ways. the cell wall is disposed to filter chemicals in endocytosis and exocytosis BFO 2 Reference: Dispositions exist along a strength continuum. Weaker forms of disposition are realized in only a fraction of triggering cases. These forms occur in a significant number of cases of a similar type. b is a disposition means: b is a realizable entity & b’s bearer is some material entity & b is such that if it ceases to exist, then its bearer is physically changed, & b’s realization occurs when and because this bearer is in some special physical circumstances, & this realization occurs in virtue of the bearer’s physical make-up. (axiom label in BFO2 Reference: [062-002]) If b is a realizable entity then for all t at which b exists, b s-depends_on some material entity at t. (axiom label in BFO2 Reference: [063-002]) (forall (x t) (if (and (RealizableEntity x) (existsAt x t)) (exists (y) (and (MaterialEntity y) (specificallyDepends x y t))))) // axiom label in BFO2 CLIF: [063-002] (forall (x) (if (Disposition x) (and (RealizableEntity x) (exists (y) (and (MaterialEntity y) (bearerOfAt x y t)))))) // axiom label in BFO2 CLIF: [062-002] disposition b is a disposition means: b is a realizable entity & b’s bearer is some material entity & b is such that if it ceases to exist, then its bearer is physically changed, & b’s realization occurs when and because this bearer is in some special physical circumstances, & this realization occurs in virtue of the bearer’s physical make-up. (axiom label in BFO2 Reference: [062-002]) If b is a realizable entity then for all t at which b exists, b s-depends_on some material entity at t. (axiom label in BFO2 Reference: [063-002]) (forall (x t) (if (and (RealizableEntity x) (existsAt x t)) (exists (y) (and (MaterialEntity y) (specificallyDepends x y t))))) // axiom label in BFO2 CLIF: [063-002] (forall (x) (if (Disposition x) (and (RealizableEntity x) (exists (y) (and (MaterialEntity y) (bearerOfAt x y t)))))) // axiom label in BFO2 CLIF: [062-002] realizable RealizableEntity realizable entity the disposition of this piece of metal to conduct electricity. the disposition of your blood to coagulate the function of your reproductive organs the role of being a doctor the role of this boundary to delineate where Utah and Colorado meet 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. To say that b is a realizable entity is to say that b is a specifically dependent continuant that inheres in some independent continuant which is not a spatial region and is of a type instances of which are realized in processes of a correlated type. (axiom label in BFO2 Reference: [058-002]) All realizable dependent continuants have independent continuants that are not spatial regions as their bearers. (axiom label in BFO2 Reference: [060-002]) (forall (x t) (if (RealizableEntity x) (exists (y) (and (IndependentContinuant y) (not (SpatialRegion y)) (bearerOfAt y x t))))) // axiom label in BFO2 CLIF: [060-002] (forall (x) (if (RealizableEntity x) (and (SpecificallyDependentContinuant x) (exists (y) (and (IndependentContinuant y) (not (SpatialRegion y)) (inheresIn x y)))))) // axiom label in BFO2 CLIF: [058-002] realizable entity To say that b is a realizable entity is to say that b is a specifically dependent continuant that inheres in some independent continuant which is not a spatial region and is of a type instances of which are realized in processes of a correlated type. (axiom label in BFO2 Reference: [058-002]) All realizable dependent continuants have independent continuants that are not spatial regions as their bearers. (axiom label in BFO2 Reference: [060-002]) (forall (x t) (if (RealizableEntity x) (exists (y) (and (IndependentContinuant y) (not (SpatialRegion y)) (bearerOfAt y x t))))) // axiom label in BFO2 CLIF: [060-002] (forall (x) (if (RealizableEntity x) (and (SpecificallyDependentContinuant x) (exists (y) (and (IndependentContinuant y) (not (SpatialRegion y)) (inheresIn x y)))))) // axiom label in BFO2 CLIF: [058-002] 0d-s-region ZeroDimensionalSpatialRegion A zero-dimensional spatial region is a point in space. (axiom label in BFO2 Reference: [037-001]) (forall (x) (if (ZeroDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [037-001] zero-dimensional spatial region A zero-dimensional spatial region is a point in space. (axiom label in BFO2 Reference: [037-001]) (forall (x) (if (ZeroDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [037-001] quality Quality the ambient temperature of this portion of air the color of a tomato the length of the circumference of your waist the mass of this piece of gold. the shape of your nose the shape of your nostril a quality is a specifically dependent continuant that, in contrast to roles and dispositions, does not require any further process in order to be realized. (axiom label in BFO2 Reference: [055-001]) If an entity is a quality at any time that it exists, then it is a quality at every time that it exists. (axiom label in BFO2 Reference: [105-001]) (forall (x) (if (Quality x) (SpecificallyDependentContinuant x))) // axiom label in BFO2 CLIF: [055-001] (forall (x) (if (exists (t) (and (existsAt x t) (Quality x))) (forall (t_1) (if (existsAt x t_1) (Quality x))))) // axiom label in BFO2 CLIF: [105-001] quality a quality is a specifically dependent continuant that, in contrast to roles and dispositions, does not require any further process in order to be realized. (axiom label in BFO2 Reference: [055-001]) If an entity is a quality at any time that it exists, then it is a quality at every time that it exists. (axiom label in BFO2 Reference: [105-001]) (forall (x) (if (Quality x) (SpecificallyDependentContinuant x))) // axiom label in BFO2 CLIF: [055-001] (forall (x) (if (exists (t) (and (existsAt x t) (Quality x))) (forall (t_1) (if (existsAt x t_1) (Quality x))))) // axiom label in BFO2 CLIF: [105-001] sdc SpecificallyDependentContinuant specifically dependent continuant Reciprocal specifically dependent continuants: the function of this key to open this lock and the mutually dependent disposition of this lock: to be opened by this key of one-sided specifically dependent continuants: the mass of this tomato of relational dependent continuants (multiple bearers): John’s love for Mary, the ownership relation between John and this statue, the relation of authority between John and his subordinates. the disposition of this fish to decay the function of this heart: to pump blood the mutual dependence of proton donors and acceptors in chemical reactions [79 the mutual dependence of the role predator and the role prey as played by two organisms in a given interaction the pink color of a medium rare piece of grilled filet mignon at its center the role of being a doctor the shape of this hole. the smell of this portion of mozzarella 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. b is a relational specifically dependent continuant = Def. b is a specifically dependent continuant and there are n &gt; 1 independent continuants c1, … cn which are not spatial regions are such that for all 1 i &lt; j n, ci and cj share no common parts, are such that for each 1 i n, b s-depends_on ci at every time t during the course of b’s existence (axiom label in BFO2 Reference: [131-004]) b is a specifically dependent continuant = Def. b is a continuant & there is some independent continuant c which is not a spatial region and which is such that b s-depends_on c at every time t during the course of b’s existence. (axiom label in BFO2 Reference: [050-003]) Specifically dependent continuant doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. We're not sure what else will develop here, but for example there are questions such as what are promises, obligation, etc. (iff (RelationalSpecificallyDependentContinuant a) (and (SpecificallyDependentContinuant a) (forall (t) (exists (b c) (and (not (SpatialRegion b)) (not (SpatialRegion c)) (not (= b c)) (not (exists (d) (and (continuantPartOfAt d b t) (continuantPartOfAt d c t)))) (specificallyDependsOnAt a b t) (specificallyDependsOnAt a c t)))))) // axiom label in BFO2 CLIF: [131-004] (iff (SpecificallyDependentContinuant a) (and (Continuant a) (forall (t) (if (existsAt a t) (exists (b) (and (IndependentContinuant b) (not (SpatialRegion b)) (specificallyDependsOnAt a b t))))))) // axiom label in BFO2 CLIF: [050-003] specifically dependent continuant b is a specifically dependent continuant = Def. b is a continuant & there is some independent continuant c which is not a spatial region and which is such that b s-depends_on c at every time t during the course of b’s existence. (axiom label in BFO2 Reference: [050-003]) Specifically dependent continuant doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. We're not sure what else will develop here, but for example there are questions such as what are promises, obligation, etc. per discussion with Barry Smith (iff (SpecificallyDependentContinuant a) (and (Continuant a) (forall (t) (if (existsAt a t) (exists (b) (and (IndependentContinuant b) (not (SpatialRegion b)) (specificallyDependsOnAt a b t))))))) // axiom label in BFO2 CLIF: [050-003] role Role John’s role of husband to Mary is dependent on Mary’s role of wife to John, and both are dependent on the object aggregate comprising John and Mary as member parts joined together through the relational quality of being married. the priest role the role of a boundary to demarcate two neighboring administrative territories the role of a building in serving as a military target the role of a stone in marking a property boundary the role of subject in a clinical trial the student role BFO 2 Reference: One major family of examples of non-rigid universals involves roles, and ontologies developed for corresponding administrative purposes may consist entirely of representatives of entities of this sort. Thus ‘professor’, defined as follows,b instance_of professor at t =Def. there is some c, c instance_of professor role & c inheres_in b at t.denotes a non-rigid universal and so also do ‘nurse’, ‘student’, ‘colonel’, ‘taxpayer’, and so forth. (These terms are all, in the jargon of philosophy, phase sortals.) By using role terms in definitions, we can create a BFO conformant treatment of such entities drawing on the fact that, while an instance of professor may be simultaneously an instance of trade union member, no instance of the type professor role is also (at any time) an instance of the type trade union member role (any more than any instance of the type color is at any time an instance of the type length).If an ontology of employment positions should be defined in terms of roles following the above pattern, this enables the ontology to do justice to the fact that individuals instantiate the corresponding universals – professor, sergeant, nurse – only during certain phases in their lives. b is a role means: b is a realizable entity & b exists because there is some single bearer that is in some special physical, social, or institutional set of circumstances in which this bearer does not have to be& b is not such that, if it ceases to exist, then the physical make-up of the bearer is thereby changed. (axiom label in BFO2 Reference: [061-001]) (forall (x) (if (Role x) (RealizableEntity x))) // axiom label in BFO2 CLIF: [061-001] role b is a role means: b is a realizable entity & b exists because there is some single bearer that is in some special physical, social, or institutional set of circumstances in which this bearer does not have to be& b is not such that, if it ceases to exist, then the physical make-up of the bearer is thereby changed. (axiom label in BFO2 Reference: [061-001]) (forall (x) (if (Role x) (RealizableEntity x))) // axiom label in BFO2 CLIF: [061-001] fiat-object-part FiatObjectPart or with divisions drawn by cognitive subjects for practical reasons, such as the division of a cake (before slicing) into (what will become) slices (and thus member parts of an object aggregate). However, this does not mean that fiat object parts are dependent for their existence on divisions or delineations effected by cognitive subjects. If, for example, it is correct to conceive geological layers of the Earth as fiat object parts of the Earth, then even though these layers were first delineated in recent times, still existed long before such delineation and what holds of these layers (for example that the oldest layers are also the lowest layers) did not begin to hold because of our acts of delineation.Treatment of material entity in BFOExamples viewed by some as problematic cases for the trichotomy of fiat object part, object, and object aggregate include: a mussel on (and attached to) a rock, a slime mold, a pizza, a cloud, a galaxy, a railway train with engine and multiple carriages, a clonal stand of quaking aspen, a bacterial community (biofilm), a broken femur. Note that, as Aristotle already clearly recognized, such problematic cases – which lie at or near the penumbra of instances defined by the categories in question – need not invalidate these categories. The existence of grey objects does not prove that there are not objects which are black and objects which are white; the existence of mules does not prove that there are not objects which are donkeys and objects which are horses. It does, however, show that the examples in question need to be addressed carefully in order to show how they can be fitted into the proposed scheme, for example by recognizing additional subdivisions [29 the FMA:regional parts of an intact human body. the Western hemisphere of the Earth the division of the brain into regions the division of the planet into hemispheres the dorsal and ventral surfaces of the body the upper and lower lobes of the left lung BFO 2 Reference: Most examples of fiat object parts are associated with theoretically drawn divisions b is a fiat object part = Def. b is a material entity which is such that for all times t, if b exists at t then there is some object c such that b proper continuant_part of c at t and c is demarcated from the remainder of c by a two-dimensional continuant fiat boundary. (axiom label in BFO2 Reference: [027-004]) (forall (x) (if (FiatObjectPart x) (and (MaterialEntity x) (forall (t) (if (existsAt x t) (exists (y) (and (Object y) (properContinuantPartOfAt x y t)))))))) // axiom label in BFO2 CLIF: [027-004] fiat object fiat object part b is a fiat object part = Def. b is a material entity which is such that for all times t, if b exists at t then there is some object c such that b proper continuant_part of c at t and c is demarcated from the remainder of c by a two-dimensional continuant fiat boundary. (axiom label in BFO2 Reference: [027-004]) (forall (x) (if (FiatObjectPart x) (and (MaterialEntity x) (forall (t) (if (existsAt x t) (exists (y) (and (Object y) (properContinuantPartOfAt x y t)))))))) // axiom label in BFO2 CLIF: [027-004] 1d-s-region OneDimensionalSpatialRegion an edge of a cube-shaped portion of space. A one-dimensional spatial region is a line or aggregate of lines stretching from one point in space to another. (axiom label in BFO2 Reference: [038-001]) (forall (x) (if (OneDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [038-001] one-dimensional spatial region A one-dimensional spatial region is a line or aggregate of lines stretching from one point in space to another. (axiom label in BFO2 Reference: [038-001]) (forall (x) (if (OneDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [038-001] object-aggregate ObjectAggregate a collection of cells in a blood biobank. a swarm of bees is an aggregate of members who are linked together through natural bonds a symphony orchestra an organization is an aggregate whose member parts have roles of specific types (for example in a jazz band, a chess club, a football team) defined by fiat: the aggregate of members of an organization defined through physical attachment: the aggregate of atoms in a lump of granite defined through physical containment: the aggregate of molecules of carbon dioxide in a sealed container defined via attributive delimitations such as: the patients in this hospital the aggregate of bearings in a constant velocity axle joint the aggregate of blood cells in your body the nitrogen atoms in the atmosphere the restaurants in Palo Alto your collection of Meissen ceramic plates. An entity a is an object aggregate if and only if there is a mutually exhaustive and pairwise disjoint partition of a into objects BFO 2 Reference: object aggregates may gain and lose parts while remaining numerically identical (one and the same individual) over time. This holds both for aggregates whose membership is determined naturally (the aggregate of cells in your body) and aggregates determined by fiat (a baseball team, a congressional committee). ISBN:978-3-938793-98-5pp124-158#Thomas Bittner and Barry Smith, 'A Theory of Granular Partitions', in K. Munn and B. Smith (eds.), Applied Ontology: An Introduction, Frankfurt/Lancaster: ontos, 2008, 125-158. b is an object aggregate means: b is a material entity consisting exactly of a plurality of objects as member_parts at all times at which b exists. (axiom label in BFO2 Reference: [025-004]) (forall (x) (if (ObjectAggregate x) (and (MaterialEntity x) (forall (t) (if (existsAt x t) (exists (y z) (and (Object y) (Object z) (memberPartOfAt y x t) (memberPartOfAt z x t) (not (= y z)))))) (not (exists (w t_1) (and (memberPartOfAt w x t_1) (not (Object w)))))))) // axiom label in BFO2 CLIF: [025-004] object aggregate An entity a is an object aggregate if and only if there is a mutually exhaustive and pairwise disjoint partition of a into objects An entity a is an object aggregate if and only if there is a mutually exhaustive and pairwise disjoint partition of a into objects ISBN:978-3-938793-98-5pp124-158#Thomas Bittner and Barry Smith, 'A Theory of Granular Partitions', in K. Munn and B. Smith (eds.), Applied Ontology: An Introduction, Frankfurt/Lancaster: ontos, 2008, 125-158. b is an object aggregate means: b is a material entity consisting exactly of a plurality of objects as member_parts at all times at which b exists. (axiom label in BFO2 Reference: [025-004]) (forall (x) (if (ObjectAggregate x) (and (MaterialEntity x) (forall (t) (if (existsAt x t) (exists (y z) (and (Object y) (Object z) (memberPartOfAt y x t) (memberPartOfAt z x t) (not (= y z)))))) (not (exists (w t_1) (and (memberPartOfAt w x t_1) (not (Object w)))))))) // axiom label in BFO2 CLIF: [025-004] 3d-s-region ThreeDimensionalSpatialRegion a cube-shaped region of space a sphere-shaped region of space, A three-dimensional spatial region is a spatial region that is of three dimensions. (axiom label in BFO2 Reference: [040-001]) (forall (x) (if (ThreeDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [040-001] three-dimensional spatial region A three-dimensional spatial region is a spatial region that is of three dimensions. (axiom label in BFO2 Reference: [040-001]) (forall (x) (if (ThreeDimensionalSpatialRegion x) (SpatialRegion x))) // axiom label in BFO2 CLIF: [040-001] site Site Manhattan Canyon) a hole in the interior of a portion of cheese a rabbit hole an air traffic control region defined in the airspace above an airport the Grand Canyon the Piazza San Marco the cockpit of an aircraft the hold of a ship the interior of a kangaroo pouch the interior of the trunk of your car the interior of your bedroom the interior of your office the interior of your refrigerator the lumen of your gut your left nostril (a fiat part – the opening – of your left nasal cavity) b is a site means: b is a three-dimensional immaterial entity that is (partially or wholly) bounded by a material entity or it is a three-dimensional immaterial part thereof. (axiom label in BFO2 Reference: [034-002]) (forall (x) (if (Site x) (ImmaterialEntity x))) // axiom label in BFO2 CLIF: [034-002] site b is a site means: b is a three-dimensional immaterial entity that is (partially or wholly) bounded by a material entity or it is a three-dimensional immaterial part thereof. (axiom label in BFO2 Reference: [034-002]) (forall (x) (if (Site x) (ImmaterialEntity x))) // axiom label in BFO2 CLIF: [034-002] object Object atom cell cells and organisms engineered artifacts grain of sand molecule organelle organism planet solid portions of matter star BFO 2 Reference: BFO rests on the presupposition that at multiple micro-, meso- and macroscopic scales reality exhibits certain stable, spatially separated or separable material units, combined or combinable into aggregates of various sorts (for example organisms into what are called ‘populations’). Such units play a central role in almost all domains of natural science from particle physics to cosmology. Many scientific laws govern the units in question, employing general terms (such as ‘molecule’ or ‘planet’) referring to the types and subtypes of units, and also to the types and subtypes of the processes through which such units develop and interact. The division of reality into such natural units is at the heart of biological science, as also is the fact that these units may form higher-level units (as cells form multicellular organisms) and that they may also form aggregates of units, for example as cells form portions of tissue and organs form families, herds, breeds, species, and so on. At the same time, the division of certain portions of reality into engineered units (manufactured artifacts) is the basis of modern industrial technology, which rests on the distributed mass production of engineered parts through division of labor and on their assembly into larger, compound units such as cars and laptops. The division of portions of reality into units is one starting point for the phenomenon of counting. BFO 2 Reference: Each object is such that there are entities of which we can assert unproblematically that they lie in its interior, and other entities of which we can assert unproblematically that they lie in its exterior. This may not be so for entities lying at or near the boundary between the interior and exterior. This means that two objects – for example the two cells depicted in Figure 3 – may be such that there are material entities crossing their boundaries which belong determinately to neither cell. Something similar obtains in certain cases of conjoined twins (see below). BFO 2 Reference: To say that b is causally unified means: b is a material entity which is such that its material parts are tied together in such a way that, in environments typical for entities of the type in question,if c, a continuant part of b that is in the interior of b at t, is larger than a certain threshold size (which will be determined differently from case to case, depending on factors such as porosity of external cover) and is moved in space to be at t at a location on the exterior of the spatial region that had been occupied by b at t, then either b’s other parts will be moved in coordinated fashion or b will be damaged (be affected, for example, by breakage or tearing) in the interval between t and t.causal changes in one part of b can have consequences for other parts of b without the mediation of any entity that lies on the exterior of b. Material entities with no proper material parts would satisfy these conditions trivially. Candidate examples of types of causal unity for material entities of more complex sorts are as follows (this is not intended to be an exhaustive list):CU1: Causal unity via physical coveringHere the parts in the interior of the unified entity are combined together causally through a common membrane or other physical covering\. The latter points outwards toward and may serve a protective function in relation to what lies on the exterior of the entity [13, 47 BFO 2 Reference: an object is a maximal causally unified material entity BFO 2 Reference: ‘objects’ are sometimes referred to as ‘grains’ [74 b is an object means: b is a material entity which manifests causal unity of one or other of the types CUn listed above & is of a type (a material universal) instances of which are maximal relative to this criterion of causal unity. (axiom label in BFO2 Reference: [024-001]) object b is an object means: b is a material entity which manifests causal unity of one or other of the types CUn listed above & is of a type (a material universal) instances of which are maximal relative to this criterion of causal unity. (axiom label in BFO2 Reference: [024-001]) gdc GenericallyDependentContinuant generically dependent continuant The entries in your database are patterns instantiated as quality instances in your hard drive. The database itself is an aggregate of such patterns. When you create the database you create a particular instance of the generically dependent continuant type database. Each entry in the database is an instance of the generically dependent continuant type IAO: information content entity. the pdf file on your laptop, the pdf file that is a copy thereof on my laptop the sequence of this protein molecule; the sequence that is a copy thereof in that protein molecule. A continuant that is dependent on one or other independent continuant bearers. For every instance of A requires some instance of (an independent continuant type) B but which instance of B serves can change from time to time. b is a generically dependent continuant = Def. b is a continuant that g-depends_on one or more other entities. (axiom label in BFO2 Reference: [074-001]) (iff (GenericallyDependentContinuant a) (and (Continuant a) (exists (b t) (genericallyDependsOnAt a b t)))) // axiom label in BFO2 CLIF: [074-001] generically dependent continuant b is a generically dependent continuant = Def. b is a continuant that g-depends_on one or more other entities. (axiom label in BFO2 Reference: [074-001]) (iff (GenericallyDependentContinuant a) (and (Continuant a) (exists (b t) (genericallyDependsOnAt a b t)))) // axiom label in BFO2 CLIF: [074-001] function Function the function of a hammer to drive in nails the function of a heart pacemaker to regulate the beating of a heart through electricity the function of amylase in saliva to break down starch into sugar BFO 2 Reference: In the past, we have distinguished two varieties of function, artifactual function and biological function. These are not asserted subtypes of BFO:function however, since the same function – for example: to pump, to transport – can exist both in artifacts and in biological entities. The asserted subtypes of function that would be needed in order to yield a separate monoheirarchy are not artifactual function, biological function, etc., but rather transporting function, pumping function, etc. A function is a disposition that exists in virtue of the bearer’s physical make-up and this physical make-up is something the bearer possesses because it came into being, either through evolution (in the case of natural biological entities) or through intentional design (in the case of artifacts), in order to realize processes of a certain sort. (axiom label in BFO2 Reference: [064-001]) (forall (x) (if (Function x) (Disposition x))) // axiom label in BFO2 CLIF: [064-001] function A function is a disposition that exists in virtue of the bearer’s physical make-up and this physical make-up is something the bearer possesses because it came into being, either through evolution (in the case of natural biological entities) or through intentional design (in the case of artifacts), in order to realize processes of a certain sort. (axiom label in BFO2 Reference: [064-001]) (forall (x) (if (Function x) (Disposition x))) // axiom label in BFO2 CLIF: [064-001] p-boundary ProcessBoundary the boundary between the 2nd and 3rd year of your life. p is a process boundary =Def. p is a temporal part of a process & p has no proper temporal parts. (axiom label in BFO2 Reference: [084-001]) Every process boundary occupies_temporal_region a zero-dimensional temporal region. (axiom label in BFO2 Reference: [085-002]) (forall (x) (if (ProcessBoundary x) (exists (y) (and (ZeroDimensionalTemporalRegion y) (occupiesTemporalRegion x y))))) // axiom label in BFO2 CLIF: [085-002] (iff (ProcessBoundary a) (exists (p) (and (Process p) (temporalPartOf a p) (not (exists (b) (properTemporalPartOf b a)))))) // axiom label in BFO2 CLIF: [084-001] process boundary p is a process boundary =Def. p is a temporal part of a process & p has no proper temporal parts. (axiom label in BFO2 Reference: [084-001]) Every process boundary occupies_temporal_region a zero-dimensional temporal region. (axiom label in BFO2 Reference: [085-002]) (forall (x) (if (ProcessBoundary x) (exists (y) (and (ZeroDimensionalTemporalRegion y) (occupiesTemporalRegion x y))))) // axiom label in BFO2 CLIF: [085-002] (iff (ProcessBoundary a) (exists (p) (and (Process p) (temporalPartOf a p) (not (exists (b) (properTemporalPartOf b a)))))) // axiom label in BFO2 CLIF: [084-001] 1d-t-region OneDimensionalTemporalRegion the temporal region during which a process occurs. BFO 2 Reference: A temporal interval is a special kind of one-dimensional temporal region, namely one that is self-connected (is without gaps or breaks). A one-dimensional temporal region is a temporal region that is extended. (axiom label in BFO2 Reference: [103-001]) (forall (x) (if (OneDimensionalTemporalRegion x) (TemporalRegion x))) // axiom label in BFO2 CLIF: [103-001] one-dimensional temporal region A one-dimensional temporal region is a temporal region that is extended. (axiom label in BFO2 Reference: [103-001]) (forall (x) (if (OneDimensionalTemporalRegion x) (TemporalRegion x))) // axiom label in BFO2 CLIF: [103-001] material MaterialEntity material entity a flame a forest fire a human being a hurricane a photon a puff of smoke a sea wave a tornado an aggregate of human beings. an energy wave an epidemic the undetached arm of a human being An independent continuant that is spatially extended whose identity is independent of that of other entities and can be maintained through time. BFO 2 Reference: Material entities (continuants) can preserve their identity even while gaining and losing material parts. Continuants are contrasted with occurrents, which unfold themselves in successive temporal parts or phases [60 BFO 2 Reference: Object, Fiat Object Part and Object Aggregate are not intended to be exhaustive of Material Entity. Users are invited to propose new subcategories of Material Entity. BFO 2 Reference: ‘Matter’ is intended to encompass both mass and energy (we will address the ontological treatment of portions of energy in a later version of BFO). A portion of matter is anything that includes elementary particles among its proper or improper parts: quarks and leptons, including electrons, as the smallest particles thus far discovered; baryons (including protons and neutrons) at a higher level of granularity; atoms and molecules at still higher levels, forming the cells, organs, organisms and other material entities studied by biologists, the portions of rock studied by geologists, the fossils studied by paleontologists, and so on.Material entities are three-dimensional entities (entities extended in three spatial dimensions), as contrasted with the processes in which they participate, which are four-dimensional entities (entities extended also along the dimension of time).According to the FMA, material entities may have immaterial entities as parts – including the entities identified below as sites; for example the interior (or ‘lumen’) of your small intestine is a part of your body. BFO 2.0 embodies a decision to follow the FMA here. A material entity is an independent continuant that has some portion of matter as proper or improper continuant part. (axiom label in BFO2 Reference: [019-002]) Every entity which has a material entity as continuant part is a material entity. (axiom label in BFO2 Reference: [020-002]) every entity of which a material entity is continuant part is also a material entity. (axiom label in BFO2 Reference: [021-002]) (forall (x) (if (MaterialEntity x) (IndependentContinuant x))) // axiom label in BFO2 CLIF: [019-002] (forall (x) (if (and (Entity x) (exists (y t) (and (MaterialEntity y) (continuantPartOfAt x y t)))) (MaterialEntity x))) // axiom label in BFO2 CLIF: [021-002] (forall (x) (if (and (Entity x) (exists (y t) (and (MaterialEntity y) (continuantPartOfAt y x t)))) (MaterialEntity x))) // axiom label in BFO2 CLIF: [020-002] bfo BFO:0000040 material entity material entity (forall (x) (if (MaterialEntity x) (IndependentContinuant x))) // axiom label in BFO2 CLIF: [019-002] (forall (x) (if (and (Entity x) (exists (y t) (and (MaterialEntity y) (continuantPartOfAt x y t)))) (MaterialEntity x))) // axiom label in BFO2 CLIF: [021-002] (forall (x) (if (and (Entity x) (exists (y t) (and (MaterialEntity y) (continuantPartOfAt y x t)))) (MaterialEntity x))) // axiom label in BFO2 CLIF: [020-002] A material entity is an independent continuant that has some portion of matter as proper or improper continuant part. (axiom label in BFO2 Reference: [019-002]) Every entity which has a material entity as continuant part is a material entity. (axiom label in BFO2 Reference: [020-002]) every entity of which a material entity is continuant part is also a material entity. (axiom label in BFO2 Reference: [021-002]) cf-boundary ContinuantFiatBoundary b is a continuant fiat boundary = Def. b is an immaterial entity that is of zero, one or two dimensions and does not include a spatial region as part. (axiom label in BFO2 Reference: [029-001]) BFO 2 Reference: In BFO 1.1 the assumption was made that the external surface of a material entity such as a cell could be treated as if it were a boundary in the mathematical sense. The new document propounds the view that when we talk about external surfaces of material objects in this way then we are talking about something fiat. To be dealt with in a future version: fiat boundaries at different levels of granularity.More generally, the focus in discussion of boundaries in BFO 2.0 is now on fiat boundaries, which means: boundaries for which there is no assumption that they coincide with physical discontinuities. The ontology of boundaries becomes more closely allied with the ontology of regions. BFO 2 Reference: a continuant fiat boundary is a boundary of some material entity (for example: the plane separating the Northern and Southern hemispheres; the North Pole), or it is a boundary of some immaterial entity (for example of some portion of airspace). Three basic kinds of continuant fiat boundary can be distinguished (together with various combination kinds [29 Continuant fiat boundary doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. An example would be the mereological sum of two-dimensional continuant fiat boundary and a one dimensional continuant fiat boundary that doesn't overlap it. The situation is analogous to temporal and spatial regions. Every continuant fiat boundary is located at some spatial region at every time at which it exists (iff (ContinuantFiatBoundary a) (and (ImmaterialEntity a) (exists (b) (and (or (ZeroDimensionalSpatialRegion b) (OneDimensionalSpatialRegion b) (TwoDimensionalSpatialRegion b)) (forall (t) (locatedInAt a b t)))) (not (exists (c t) (and (SpatialRegion c) (continuantPartOfAt c a t)))))) // axiom label in BFO2 CLIF: [029-001] continuant fiat boundary b is a continuant fiat boundary = Def. b is an immaterial entity that is of zero, one or two dimensions and does not include a spatial region as part. (axiom label in BFO2 Reference: [029-001]) Continuant fiat boundary doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. An example would be the mereological sum of two-dimensional continuant fiat boundary and a one dimensional continuant fiat boundary that doesn't overlap it. The situation is analogous to temporal and spatial regions. (iff (ContinuantFiatBoundary a) (and (ImmaterialEntity a) (exists (b) (and (or (ZeroDimensionalSpatialRegion b) (OneDimensionalSpatialRegion b) (TwoDimensionalSpatialRegion b)) (forall (t) (locatedInAt a b t)))) (not (exists (c t) (and (SpatialRegion c) (continuantPartOfAt c a t)))))) // axiom label in BFO2 CLIF: [029-001] immaterial ImmaterialEntity BFO 2 Reference: Immaterial entities are divided into two subgroups:boundaries and sites, which bound, or are demarcated in relation, to material entities, and which can thus change location, shape and size and as their material hosts move or change shape or size (for example: your nasal passage; the hold of a ship; the boundary of Wales (which moves with the rotation of the Earth) [38, 7, 10 immaterial entity 1d-cf-boundary OneDimensionalContinuantFiatBoundary The Equator all geopolitical boundaries all lines of latitude and longitude the line separating the outer surface of the mucosa of the lower lip from the outer surface of the skin of the chin. the median sulcus of your tongue a one-dimensional continuant fiat boundary is a continuous fiat line whose location is defined in relation to some material entity. (axiom label in BFO2 Reference: [032-001]) (iff (OneDimensionalContinuantFiatBoundary a) (and (ContinuantFiatBoundary a) (exists (b) (and (OneDimensionalSpatialRegion b) (forall (t) (locatedInAt a b t)))))) // axiom label in BFO2 CLIF: [032-001] one-dimensional continuant fiat boundary a one-dimensional continuant fiat boundary is a continuous fiat line whose location is defined in relation to some material entity. (axiom label in BFO2 Reference: [032-001]) (iff (OneDimensionalContinuantFiatBoundary a) (and (ContinuantFiatBoundary a) (exists (b) (and (OneDimensionalSpatialRegion b) (forall (t) (locatedInAt a b t)))))) // axiom label in BFO2 CLIF: [032-001] process-profile ProcessProfile On a somewhat higher level of complexity are what we shall call rate process profiles, which are the targets of selective abstraction focused not on determinate quality magnitudes plotted over time, but rather on certain ratios between these magnitudes and elapsed times. A speed process profile, for example, is represented by a graph plotting against time the ratio of distance covered per unit of time. Since rates may change, and since such changes, too, may have rates of change, we have to deal here with a hierarchy of process profile universals at successive levels One important sub-family of rate process profiles is illustrated by the beat or frequency profiles of cyclical processes, illustrated by the 60 beats per minute beating process of John’s heart, or the 120 beats per minute drumming process involved in one of John’s performances in a rock band, and so on. Each such process includes what we shall call a beat process profile instance as part, a subtype of rate process profile in which the salient ratio is not distance covered but rather number of beat cycles per unit of time. Each beat process profile instance instantiates the determinable universal beat process profile. But it also instantiates multiple more specialized universals at lower levels of generality, selected from rate process profilebeat process profileregular beat process profile3 bpm beat process profile4 bpm beat process profileirregular beat process profileincreasing beat process profileand so on.In the case of a regular beat process profile, a rate can be assigned in the simplest possible fashion by dividing the number of cycles by the length of the temporal region occupied by the beating process profile as a whole. Irregular process profiles of this sort, for example as identified in the clinic, or in the readings on an aircraft instrument panel, are often of diagnostic significance. The simplest type of process profiles are what we shall call ‘quality process profiles’, which are the process profiles which serve as the foci of the sort of selective abstraction that is involved when measurements are made of changes in single qualities, as illustrated, for example, by process profiles of mass, temperature, aortic pressure, and so on. b is a process_profile =Def. there is some process c such that b process_profile_of c (axiom label in BFO2 Reference: [093-002]) b process_profile_of c holds when b proper_occurrent_part_of c& there is some proper_occurrent_part d of c which has no parts in common with b & is mutually dependent on b& is such that b, c and d occupy the same temporal region (axiom label in BFO2 Reference: [094-005]) (forall (x y) (if (processProfileOf x y) (and (properContinuantPartOf x y) (exists (z t) (and (properOccurrentPartOf z y) (TemporalRegion t) (occupiesSpatioTemporalRegion x t) (occupiesSpatioTemporalRegion y t) (occupiesSpatioTemporalRegion z t) (not (exists (w) (and (occurrentPartOf w x) (occurrentPartOf w z))))))))) // axiom label in BFO2 CLIF: [094-005] (iff (ProcessProfile a) (exists (b) (and (Process b) (processProfileOf a b)))) // axiom label in BFO2 CLIF: [093-002] process profile b is a process_profile =Def. there is some process c such that b process_profile_of c (axiom label in BFO2 Reference: [093-002]) b process_profile_of c holds when b proper_occurrent_part_of c& there is some proper_occurrent_part d of c which has no parts in common with b & is mutually dependent on b& is such that b, c and d occupy the same temporal region (axiom label in BFO2 Reference: [094-005]) (forall (x y) (if (processProfileOf x y) (and (properContinuantPartOf x y) (exists (z t) (and (properOccurrentPartOf z y) (TemporalRegion t) (occupiesSpatioTemporalRegion x t) (occupiesSpatioTemporalRegion y t) (occupiesSpatioTemporalRegion z t) (not (exists (w) (and (occurrentPartOf w x) (occurrentPartOf w z))))))))) // axiom label in BFO2 CLIF: [094-005] (iff (ProcessProfile a) (exists (b) (and (Process b) (processProfileOf a b)))) // axiom label in BFO2 CLIF: [093-002] r-quality RelationalQuality John’s role of husband to Mary is dependent on Mary’s role of wife to John, and both are dependent on the object aggregate comprising John and Mary as member parts joined together through the relational quality of being married. a marriage bond, an instance of love, an obligation between one person and another. b is a relational quality = Def. for some independent continuants c, d and for some time t: b quality_of c at t & b quality_of d at t. (axiom label in BFO2 Reference: [057-001]) (iff (RelationalQuality a) (exists (b c t) (and (IndependentContinuant b) (IndependentContinuant c) (qualityOfAt a b t) (qualityOfAt a c t)))) // axiom label in BFO2 CLIF: [057-001] relational quality b is a relational quality = Def. for some independent continuants c, d and for some time t: b quality_of c at t & b quality_of d at t. (axiom label in BFO2 Reference: [057-001]) (iff (RelationalQuality a) (exists (b c t) (and (IndependentContinuant b) (IndependentContinuant c) (qualityOfAt a b t) (qualityOfAt a c t)))) // axiom label in BFO2 CLIF: [057-001] 2d-cf-boundary TwoDimensionalContinuantFiatBoundary a two-dimensional continuant fiat boundary (surface) is a self-connected fiat surface whose location is defined in relation to some material entity. (axiom label in BFO2 Reference: [033-001]) (iff (TwoDimensionalContinuantFiatBoundary a) (and (ContinuantFiatBoundary a) (exists (b) (and (TwoDimensionalSpatialRegion b) (forall (t) (locatedInAt a b t)))))) // axiom label in BFO2 CLIF: [033-001] two-dimensional continuant fiat boundary a two-dimensional continuant fiat boundary (surface) is a self-connected fiat surface whose location is defined in relation to some material entity. (axiom label in BFO2 Reference: [033-001]) (iff (TwoDimensionalContinuantFiatBoundary a) (and (ContinuantFiatBoundary a) (exists (b) (and (TwoDimensionalSpatialRegion b) (forall (t) (locatedInAt a b t)))))) // axiom label in BFO2 CLIF: [033-001] 0d-cf-boundary ZeroDimensionalContinuantFiatBoundary the geographic North Pole the point of origin of some spatial coordinate system. the quadripoint where the boundaries of Colorado, Utah, New Mexico, and Arizona meet zero dimension continuant fiat boundaries are not spatial points. Considering the example 'the quadripoint where the boundaries of Colorado, Utah, New Mexico, and Arizona meet' : There are many frames in which that point is zooming through many points in space. Whereas, no matter what the frame, the quadripoint is always in the same relation to the boundaries of Colorado, Utah, New Mexico, and Arizona. a zero-dimensional continuant fiat boundary is a fiat point whose location is defined in relation to some material entity. (axiom label in BFO2 Reference: [031-001]) (iff (ZeroDimensionalContinuantFiatBoundary a) (and (ContinuantFiatBoundary a) (exists (b) (and (ZeroDimensionalSpatialRegion b) (forall (t) (locatedInAt a b t)))))) // axiom label in BFO2 CLIF: [031-001] zero-dimensional continuant fiat boundary zero dimension continuant fiat boundaries are not spatial points. Considering the example 'the quadripoint where the boundaries of Colorado, Utah, New Mexico, and Arizona meet' : There are many frames in which that point is zooming through many points in space. Whereas, no matter what the frame, the quadripoint is always in the same relation to the boundaries of Colorado, Utah, New Mexico, and Arizona. requested by Melanie Courtot a zero-dimensional continuant fiat boundary is a fiat point whose location is defined in relation to some material entity. (axiom label in BFO2 Reference: [031-001]) (iff (ZeroDimensionalContinuantFiatBoundary a) (and (ContinuantFiatBoundary a) (exists (b) (and (ZeroDimensionalSpatialRegion b) (forall (t) (locatedInAt a b t)))))) // axiom label in BFO2 CLIF: [031-001] 0d-t-region ZeroDimensionalTemporalRegion a temporal region that is occupied by a process boundary right now the moment at which a child is born the moment at which a finger is detached in an industrial accident the moment of death. temporal instant. A zero-dimensional temporal region is a temporal region that is without extent. (axiom label in BFO2 Reference: [102-001]) (forall (x) (if (ZeroDimensionalTemporalRegion x) (TemporalRegion x))) // axiom label in BFO2 CLIF: [102-001] zero-dimensional temporal region A zero-dimensional temporal region is a temporal region that is without extent. (axiom label in BFO2 Reference: [102-001]) (forall (x) (if (ZeroDimensionalTemporalRegion x) (TemporalRegion x))) // axiom label in BFO2 CLIF: [102-001] history History A history is a process that is the sum of the totality of processes taking place in the spatiotemporal region occupied by a material entity or site, including processes on the surface of the entity or within the cavities to which it serves as host. (axiom label in BFO2 Reference: [138-001]) history A history is a process that is the sum of the totality of processes taking place in the spatiotemporal region occupied by a material entity or site, including processes on the surface of the entity or within the cavities to which it serves as host. (axiom label in BFO2 Reference: [138-001]) One of the small bulbs (as in garlic) developed in the axils of the scales of a large bulb. BrendaTissueOBO BTO:0000262 clove A peduncle arising at or beneath the surface of the ground in an acaulescent plant (as the tulip); broadly: a flower stalk. BrendaTissueOBO BTO:0001217 scape anatomical entity biological entity A material entity that is ingested and contributes to survival, growth and development dietary nutritional component Material which remains after the removal of water from plant matter. dry matter dry plant matter Carbohydrates that are absorbed in the small intestine and provide carbohydrate for metabolism in monogastric animals. digestible carbohydrate available carbohydrate Available carbohydrate in monosaccharide and disaccharide form free sugar A carbohydrate that resists enzymatic digestion in the digestive systems of humans and other monogastric species. dietary fibre Dietary fibre which dissolves in water and is primarily fermented in the colon of monogastric animals by gut bacteria soluble dietary fibre A portion of starch that cannot be digested by amylases in the small intestine resistant starch Dietary fibre which does not dissolve in water and is inert to digestive enzymes in the upper gastrointestinal tract of monogastric animals. insoluble dietary fibre A protein that accumulates in developing seeds or grains. seed storage protein A mineral nutrient that represents a major proportion of the minerals required in the diet macromineral macro element A mineral nutrient that is present in a very low concentration within the diet micromineral trace element A plant metabolite that is not essential for growth or division of plant cells. secondary metabolite plant secondary metabolite An organic molecule that has a vitamin(role) This term can be assigned to CHEBI or any other ontology that claims it vitamin (molecular entity) Amylopectin which is derived from starch. amylopectin derived from starch Amylose which is derived from starch. amylose derived from starch Galacturonan which is derived from pectin. galacturonan derived from pectin Rhamnogalacturonan which is derived from pectin. rhamnogalacturonan derived from pectin Mannan which is derived from hemicellulose. mannan derived from hemicellulose Xylan which is derived from hemicellulose. xylan derived from hemicellulose Xyloglucan which is derived from hemicellulose. xyloglucan derived from hemicellulose Glucomannan which is derived from hemicellulose. glucomannan derived from hemicellulose Arabinoxylan which is derived from hemicellulose. arabinoxylan derived from hemicellulose Fructan which is derived from hemicellulose. fructan derived from hemicellulose Arabinan which is derived from hemicellulose. arabinan derived from hemicellulose Galactomannan which is derived from hemicellulose. galactomannan derived from hemicellulose Galactan which is derived from hemicellulose. galactan derived from hemicellulose Glucose which is derived from amylopectin derived from starch. glucose derived from amylopectin derived from starch Glucose which is derived from amylose derived from starch. glucose derived from amylose derived from starch Glucose which is derived from sucrose. glucose derived from sucrose Fructose which is derived from sucrose. fructose derived from sucrose Glucose which is derived from maltose. glucose derived from maltose Galacturonic acid which is derived from galacturonan derived from pectin. galacturonic acid derived from galacturonan derived from pectin Rhamnose which is derived from rhamnogalacturonan derived from pectin. rhamnose derived from rhamnogalacturonan derived from pectin D-apiose which is derived from rhamnogalacturonan derived from pectin. D-apiose derived from rhamnogalacturonan derived from pectin Galacturonic acid which is derived from rhamnogalacturonan derived from pectin. galacturonic acid derived from rhamnogalacturonan derived from pectin Fucose which is derived from rhamnogalacturonan derived from pectin. fucose derived from rhamnogalacturonan derived from pectin Xylose which is derived from rhamnogalacturonan derived from pectin. xylose derived from rhamnogalacturonan derived from pectin Arabinose which is derived from rhamnogalacturonan derived from pectin. arabinose derived from rhamnogalacturonan derived from pectin Galactose which is derived from rhamnogalacturonan derived from pectin. galactose derived from rhamnogalacturonan derived from pectin Raffinose which is derived from raffinose family oligosaccharide. raffinose derived from raffinose family oligosaccharide Galactose which is derived from raffinose derived from raffinose family oligosaccharide. galactose derived from raffinose derived from raffinose family oligosaccharide Glucose which is derived from raffinose derived from raffinose family oligosaccharide. glucose derived from raffinose derived from raffinose family oligosaccharide Fructose which is derived from raffinose derived from raffinose family oligosaccharide. fructose derived from raffinose derived from raffinose family oligosaccharide Stachyose which is derived from raffinose family oligosaccharide. stachyose derived from raffinose family oligosaccharide Galactose which is derived from stachyose derived from raffinose family oligosaccharide. galactose derived from stachyose derived from raffinose family oligosaccharide Glucose which is derived from stachyose derived from raffinose family oligosaccharide. glucose derived from stachyose derived from raffinose family oligosaccharidee Fructose which is derived from stachyose derived from raffinose family oligosaccharide. fructose derived from stachyose derived from raffinose family oligosaccharide Verbascose which is derived from raffinose family oligosaccharide. verbascose derived from raffinose family oligosaccharide Galactose which is derived from verbascose derived from raffinose family oligosaccharide. galactose derived from verbascose derived from raffinose family oligosaccharide Glucose which is derived from verbascose derived from raffinose family oligosaccharide. glucose derived from verbascose derived from raffinose family oligosaccharide Fructose which is derived from verbascose derived from raffinose family oligosaccharide. fructose derived from verbascose derived from raffinose family oligosaccharide Glucose which is derived from cellulose. glucose derived from cellulose Mannose which is derived from mannan derived from hemicellulose. mannose derived from mannan derived from hemicellulose Glucose which is derived from xylan derived from hemicellulose. glucose derived from xylan derived from hemicellulose Xylose which is derived from xylan derived from hemicellulose. xylose derived from xylan derived from hemicellulose Glucose which is derived from xyloglucan derived from hemicellulose. glucose derived from xyloglucan derived from hemicellulose Xylose which is derived from xyloglucan derived from hemicellulose. xylose derived from xyloglucan derived from hemicellulose Glucose which is derived from glucomannan derived from hemicellulose. glucose derived from glucomannan derived from hemicellulose Mannose which is derived from glucomannan derived from hemicellulose. mannose derived from glucomannan derived from hemicellulose Arabinose which is derived from arabinoxylan derived from hemicellulose. arabinose derived from arabinoxylan derived from hemicellulose Xylose which is derived from arabinoxylan derived from hemicellulose. xylose derived from arabinoxylan derived from hemicellulose Inulin which is derived from fructan. inulin derived from fructan Fructose which is derived from inulin derived from fructan. fructose derived from inulin derived from fructan Amino acid which is derived from protein. amino acid derived from protein Elongate 4th circumoral appendage of cuttlefish and squids used to capture prey. Divided into proximal stalk and distal club. Damion Dooley https://www.sil.si.edu/smithsoniancontributions/zoology/pdf_hi/sctz-0513.pdf 2019-06-28T19:18:51Z tentacle http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=C0246 aquatic animal ink A carotenol, the structure of which is (6'R)-beta,epsilon-carotene hydroxy-substituted at C-3' with R-stereochemistry. 0 C40H56O InChI=1S/C40H56O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-14,16-21,23-26,28,36,38,41H,15,22,27,29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+/t36-,38-/m0/s1 ORAKUVXRZWMARG-XBBNTEQGSA-N 552.87200 552.43312 CC(\C=C\C=C(C)\C=C\[C@H]1C(C)=C[C@H](O)CC1(C)C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C Beilstein:2342912 CAS:24480-38-4 KEGG:C15981 LIPID_MAPS_instance:LMPR01070268 PMID:16923233 PMID:19813226 PMID:2262812 (3'R,6'R)-beta,epsilon-caroten-3'-ol alpha-Cryptoxanthin alpha-cryptoxanthin alpha-cryptoxanthin chebi_ontology CHEBI:10223 alpha-cryptoxanthin α-cryptoxanthin A carotenol that exhibits antioxidant activity. It has been isolated from fruits such as papaya and oranges. 0 C40H56O InChI=1S/C40H56O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-14,16-21,23-26,36,41H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+/t36-/m1/s1 DMASLKHVQRHNES-FKKUPVFPSA-N 552.87204 552.43312 CC(\C=C\C=C(C)\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C Beilstein:2230123 CAS:472-70-8 HMDB:HMDB0033844 KEGG:C08591 KNApSAcK:C00000920 LIPID_MAPS_instance:LMPR01070269 MetaCyc:CPD-7409 PMID:15386932 PMID:19703237 Reaxys:2230123 Wikipedia:Cryptoxanthin (3R)-beta,beta-caroten-3-ol beta-Cryptoxanthin beta-cryptoxanthin beta-cryptoxanthin chebi_ontology cryptoxanthin CHEBI:10362 beta-cryptoxanthin β-cryptoxanthin propyl gallate http://langual.org Codex::310 Europe::310 http://www.langual.org/langual_thesaurus.asp?termid=B3228 LanguaL curation note: See "food additive" comments. LanguaL term definition: Food additive; technological purpose(s): antioxidant. n-propyl gallate A prenylated member of the class of pterocarpans and an organic heteropentacyclic compound that is 2,3,6b,12b-tetrahydro-1H,7H-chromeno[6',5':4,5]furo[3,2-c]chromen-10-ol in which both of the hydrogens at position 3 have been replaced by methyl groups (the R,R stereoisomer). It is found in found in the seeds of Phaseolus vulgaris (French bean) and in the stems of Erythrina subumbrans. 0 C20H20O4 InChI=1S/C20H20O4/c1-20(2)8-7-14-16(24-20)6-5-12-15-10-22-17-9-11(21)3-4-13(17)19(15)23-18(12)14/h3-6,9,15,19,21H,7-8,10H2,1-2H3/t15-,19-/m0/s1 YAHJJEDSBUXVRQ-KXBFYZLASA-N 324.371 324.13616 C12=C3C(=CC=C2OC(CC1)(C)C)[C@]4([C@@](O3)(C=5C=CC(O)=CC5OC4)[H])[H] CAS:13401-40-6 HMDB:HMDB0034173 KEGG:C10514 KNApSAcK:C00002559 LIPID_MAPS_instance:LMPK12070020 PMID:17964704 Wikipedia:Phaseolin_(pterocarpan) (6bR,12bR)-3,3-dimethyl-2,3,6b,12b-tetrahydro-1H,7H-chromeno[6',5':4,5]furo[3,2-c]chromen-10-ol chebi_ontology (-)-Phaseollin phaseolin phaseollin CHEBI:108 (-)-phaseolin (−)-phaseolin An organic sodium salt resulting from the replacement of the proton from the 3-hydroxy group of ascorbic acid by a sodium ion. sodium ascorbate http://langual.org Codex::301 Europe::301 http://www.langual.org/langual_thesaurus.asp?termid=B3244 sodium l-ascorbate LanguaL curation note: See "food additive" comments. LanguaL term definition: Food additive; technological purpose(s): antioxidant. sodium ascorbate An organic sodium salt resulting from the replacement of the proton from the carboxy group of benzoic acid by a sodium ion. sodium benzoate http://langual.org Codex::211 Europe::211 http://www.langual.org/langual_thesaurus.asp?termid=B3245 LanguaL curation note: See "food additive" comments. LanguaL term definition: Food additive; technological purpose(s): preservative. sodium benzoate An inorganic sodium salt composed of sodium and disulfite ions in a 2:1 ratio. sodium metabisulphite http://langual.org Codex::223 Europe::223 http://www.langual.org/langual_thesaurus.asp?termid=B3263 sodium metabisulfite LanguaL curation note: See "food additive" comments. LanguaL term definition: Food additive; technological purpose(s): antioxidant, bleaching agent, flour treatment agent, preservative. sodium disulfite 0 C25H22O10 InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3 SEBFKMXJBCUCAI-UHFFFAOYSA-N 482.437 482.12130 COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)C4C(C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O HMDB:HMDB0030583 LINCS:LSM-36943 chebi_ontology silymarin CHEBI:125451 3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-3,4-dihydro-2H-1-benzopyran-4-one 3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-3,4-dihydro-2H-1-benzopyran-4-one Any member of a group of fat-soluble retinoids produced via metabolism of provitamin A carotenoids that exhibit biological activity against vitamin A deficiency. Vitamin A is involved in immune function, vision, reproduction, and cellular communication. vitamin a http://langual.org MetaCyc:Vitamin-A Wikipedia:Vitamin_A http://www.langual.org/langual_thesaurus.asp?termid=B3750 chebi_ontology vitamin A vitamer vitamin A vitamers vitamin-A vitamins A CHEBI:12777 vitamin A vitamin A A potassium salt that is the dipotassium salt of carbonic acid. potassium carbonate potassium carbonates http://langual.org Codex::501 Codex::501(i) Europe::501 http://www.langual.org/langual_thesaurus.asp?termid=B3205 http://www.langual.org/langual_thesaurus.asp?termid=B4450 LanguaL curation note: See "food additive" comments. LanguaL term definition: Food additive. LanguaL term definition: Food additive; technological purpose(s): acidity regulator, stabilizer. potassium carbonate A docosatetraenoic acid in which the four double bonds are located at positions 7, 10, 13 and 16 (geometry unspecified). 0 C22H36O2 InChI=1S/C22H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21H2,1H3,(H,23,24) TWSWSIQAPQLDBP-UHFFFAOYSA-N 332.521 332.27153 OC(=O)CCCCCC=CCC=CCC=CCC=CCCCCC Chemspider:1955 Reaxys:1914610 docosa-7,10,13,16-tetraenoic acid chebi_ontology docosatetraenoic acid CHEBI:131693 7,10,13,16-docosatetraenoic acid 7,10,13,16-docosatetraenoic acid A class of carbonyl compound encompassing dicarboxylic acids and any derivatives obtained by substitution of either one or both of the carboxy hydrogens. dicarboxylic acids and O-substituted derivatives An organic sodium salt comprising equal numbers of sodium and propionate ions. sodium propionate http://langual.org Codex::281 Europe::281 http://www.langual.org/langual_thesaurus.asp?termid=B3270 LanguaL curation note: See "food additive" comments. LanguaL term definition: Food additive; technological purpose(s): preservative. sodium propionate Any member of the class of benzoquinones that is 1,4-benzoquinone or its C-substituted derivatives. 1,4-benzoquinones Any napthoquinone in which the oxo groups of the quinone moiety are at the 1 and 2 positions of the naphthalene ring. chebi_ontology CHEBI:132141 1,2-naphthoquinones 1,2-napthoquinone 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 1,4-napthoquinone Any trienoic fatty acid containing 18 carbons. fatty acid 18:3 A glycosyloxyisoflavone that is glycitin carrying an acetyl substituent at position 6 on the glucose moiety. 0 C24H24O11 InChI=1S/C24H24O11/c1-11(25)32-10-19-21(28)22(29)23(30)24(35-19)34-18-8-16-14(7-17(18)31-2)20(27)15(9-33-16)12-3-5-13(26)6-4-12/h3-9,19,21-24,26,28-30H,10H2,1-2H3/t19-,21-,22+,23-,24-/m1/s1 DUBPGEJGGVZKDD-PFKOEMKTSA-N 488.442 488.13186 C1(=C(C=C2C(=C1)OC=C(C2=O)C3=CC=C(C=C3)O)OC)O[C@@H]4O[C@@H]([C@H]([C@@H]([C@H]4O)O)O)COC(=O)C AGR:IND43644848 AGR:IND44656670 AGR:IND604381583 CAS:134859-96-4 Chemspider:8403585 HMDB:HMDB0039489 KNApSAcK:C00019122 PMID:11879011 PMID:16038195 PMID:18729453 PMID:19256558 PMID:21614173 PMID:22980879 PMID:9848519 Reaxys:4341444 3-(4-hydroxyphenyl)-6-methoxy-4-oxo-4H-1-benzopyran-7-yl 6-O-acetyl-beta-D-glucopyranoside chebi_ontology 6''-O-Acetylglycitin 7,4'-Dihydroxy-6-methoxyisoflavone 7-O-(6''-acetylglucoside) Acetylglycitin Glycitein 6''-O-acetylglucoside Glycitein 7-(6-O-acetyl-beta-D-glucopyranoside) Glycitin 6''-O-acetate acetyl glycitin glycitein 7-O-beta-D-(6''-O-acetyl)glucopyranoside glycitein 7-O-beta-D-(6''-O-acetyl)glucoside CHEBI:133348 glycitein 7-(6-O-acetyl-beta-D-glucoside) glycitein 7-(6-O-acetyl-β-D-glucoside) An aluminosilicate mineral consisting mostly of montmorillonite. The different types of bentonite (aluminium bentonite; calcium bentonite; potassium bentonite; sodium bentonite) are named after their dominant element. bentonite http://langual.org Codex::558 Europe::558 http://www.langual.org/langual_thesaurus.asp?termid=B3012 LanguaL curation note: See "food additive" comments. LanguaL term definition: Food additive; technological purpose(s): anticaking agent. bentonite 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. volatile organic compound 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.). allylic alcohol An allylic alcohol in which the carbon atom that links the double bond to the hydroxy group is also attached to two hydrogens. primary allylic alcohol A class containing any titanium molecular entity that is an oxide of titanium. titanium oxides A diol in which the two hydroxy groups are on different carbon atoms, usually but not necessarily adjacent. glycol A biflavonoid that is 3,4,5-trihydroxybenzocyclohepten-6-one which is substituted at positions 1 and 8 by (2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl groups. It is the main red pigment in black tea. 0 C29H24O12 InChI=1S/C29H24O12/c30-11-3-17(32)15-8-21(36)28(40-23(15)5-11)10-1-13-14(7-20(35)27(39)25(13)26(38)19(34)2-10)29-22(37)9-16-18(33)4-12(31)6-24(16)41-29/h1-7,21-22,28-33,35-37,39H,8-9H2,(H,34,38)/t21-,22-,28-,29-/m1/s1 IPMYMEWFZKHGAX-ZKSIBHASSA-N 564.495 564.12678 [C@@]1(OC=2C=C(O)C=C(O)C2C[C@H]1O)([H])C3=CC(=O)C(=C4C(=C3)C([C@]5(OC=6C=C(O)C=C(O)C6C[C@H]5O)[H])=CC(O)=C4O)O CAS:4670-05-7 Chemspider:102754 FooDB:FDB012511 HMDB:HMDB0005788 KNApSAcK:C00009348 PMID:26386739 PMID:26851019 PMID:27237789 PMID:27756182 PMID:27838465 PMID:28190756 PMID:28381812 PMID:28639145 PMID:28939421 Patent:KR20080052675 Reaxys:25497520 Wikipedia:Theaflavin 3,4,5-trihydroxy-1,8-bis[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]-6H-benzocyclohepten-6-one chebi_ontology (-)-theaflavin 1,8-bis((2R,3R)-3,5,7-trihydroxy-2H-1-benzopyran-2-yl)-3,4,6-trihydroxy-5H-benzocyclohepten-5-one 1,8-bis(3-alpha,5,7-trihydroxy-2-alpha-chromanyl)-5H-benzocyclohepten-5-one 3,4,5-trihydroxy-1,8-bis[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]-6H-benzo[7]annulen-6-one theaflavine CHEBI:136609 theaflavin theaflavin A trimethoxyflavone that is 6-hydroxyluteolin in which the phenolic hydogens at positions 4', 6 and 7 have been replaced by methyl groups. 0 C18H16O7 InChI=1S/C18H16O7/c1-22-12-5-4-9(6-10(12)19)13-7-11(20)16-14(25-13)8-15(23-2)18(24-3)17(16)21/h4-8,19,21H,1-3H3 KLAOKWJLUQKWIF-UHFFFAOYSA-N 344.316 344.08960 O1C=2C(=C(O)C(OC)=C(OC)C2)C(=O)C=C1C3=CC(O)=C(OC)C=C3 AGR:IND43745404 AGR:IND605417569 CAS:855-96-9 Chemspider:87743 KNApSAcK:C00003894 LIPID_MAPS_instance:LMPK12111239 PMID:18454852 PMID:19601638 PMID:22227008 PMID:22516932 PMID:22698713 PMID:22898066 PMID:23839090 PMID:24422962 PMID:25390937 PMID:25442272 PMID:25598631 PMID:26281557 PMID:26322527 PMID:26404257 PMID:26649063 PMID:26983579 PMID:27187805 PMID:27370961 PMID:27470387 PMID:27679866 PMID:27695261 PMID:27834876 PMID:27991400 PMID:28044092 PMID:28347190 PMID:29373904 PMID:5847037 PMID:905420 Reaxys:1355109 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxy-4H-1-benzopyran-4-one chebi_ontology 3',5-Dihydroxy-4',6,7-trimethoxyflavone Eupatorine CHEBI:136666 eupatorin eupatorin Any main group molecular entity that is gaseous at standard temperature and pressure (STP; 0degreeC and 100 kPa). gas molecular entity Any carotenoid derivative with an beta-end group carotenoid beta-end group A polyether that is any poly(ethylene glycol) in which one or both of the terminal hydroxy groups has been substituted or undergone modification. poly(ethylene glycol) derivative A beta-carotene carrying one additional hydroxy substituent at position 4. 0 C40H56O InChI=1S/C40H56O/c1-30(18-13-20-32(3)23-25-36-34(5)22-15-28-39(36,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-37-35(6)38(41)27-29-40(37,9)10/h11-14,16-21,23-26,38,41H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+ JCRCKXUPYKELBT-QQGJMDNJSA-N 552.874 552.43312 C1(=C(C(CCC1(C)C)O)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(CCCC2(C)C)C)\C)\C)/C)/C MetaCyc:CPD-17650 PMID:15659105 4-hydroxy-all-trans-beta-carotene chebi_ontology 4-hydroxy-beta-carotene beta-caroten-4-ol isocryptoxanthin trans-beta-carotene CHEBI:140677 4-hydroxy-all-trans-beta-carotene 4-hydroxy-all-trans-β-carotene R-cob(III)alamin +1 C28H33O15 InChI=1S/C28H32O15/c1-10-20(32)22(34)24(36)27(40-10)39-9-19-21(33)23(35)25(37)28(43-19)42-18-8-13-14(30)6-12(29)7-17(13)41-26(18)11-3-4-16(38-2)15(31)5-11/h3-8,10,19-25,27-28,32-37H,9H2,1-2H3,(H2-,29,30,31)/p+1/t10-,19+,20-,21+,22+,23-,24+,25+,27+,28+/m0/s1 CLKYQBTVJZYKOK-HUJUZFAXSA-O 609.554 609.18140 O(C1=CC=2C(O)=CC(O)=CC2[O+]=C1C3=CC=C(C(=C3)O)OC)[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@@H]([C@H]([C@H]5O)O)O)[C@H]([C@@H]([C@H]4O)O)O Chemspider:30777638 HMDB:HMDB0041753 chebi_ontology CHEBI:142263 isopeonidin 3-rutinoside isopeonidin 3-rutinoside 13'-carboxy-alpha-tocopherol A glucan derivative obtained through the esterification of cellulose by acetic anhydride or acetic acid, resulting in the substitution of some of the hydroxy groups of cellulose by acetyl groups. It is used in a variety of applications including base material for photographic film, clothing, membrane filters, coatings, food packaging, and as a frame material for eyeglasses. cellulose acetate A palmitate ester of retinol with undefined geometry about the C=C bonds. retinyl palmitate http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=B3767 retinyl palmitate A choline that is the parent compound of the cholines class, consisting of ethanolamine having three methyl substituents attached to the amino function. +1 C5H14NO InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1 OEYIOHPDSNJKLS-UHFFFAOYSA-N 104.17080 104.10699 C[N+](C)(C)CCO CHEBI:13985 CHEBI:23212 CHEBI:3665 CHEBI:41524 Beilstein:1736748 CAS:62-49-7 DrugBank:DB00122 Drug_Central:3097 ECMDB:ECMDB00097 Gmelin:324597 HMDB:HMDB0000097 KEGG:C00114 KEGG:D07690 KNApSAcK:C00007298 MetaCyc:CHOLINE PDBeChem:CHT PMID:10930630 PMID:12826235 PMID:12946691 PMID:14972364 PMID:16210714 PMID:17087106 PMID:17283071 PMID:17344490 PMID:18204095 PMID:18230680 PMID:18786517 PMID:18786520 PMID:19246089 PMID:20038853 PMID:20446114 PMID:22770225 PMID:22961562 PMID:23095202 PMID:23616508 PMID:23637565 PMID:23733158 PMID:6420466 PMID:7590654 PMID:9517478 Reaxys:1736748 Wikipedia:Choline YMDB:YMDB00227 2-hydroxy-N,N,N-trimethylethanaminium Choline choline chebi_ontology Bilineurine CHOLINE ION N,N,N-trimethylethanol-ammonium N-trimethylethanolamine trimethylethanolamine CHEBI:15354 choline choline 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 cysteine A simple monocarboxylic acid containing two carbons. acetic acid http://langual.org 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 Codex::260 Drug_Central:4211 Europe::260 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 http://www.langual.org/langual_thesaurus.asp?termid=B2977 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 acetic acid, glacial CHEBI:15366 LanguaL curation note: See "food additive" comments. LanguaL term definition: Food additive; technological purpose(s): acidity regulator, preservative. acetic acid acetic acid An oxygen hydride consisting of an oxygen atom that is covalently bonded to two hydrogen atoms. 0 H2O InChI=1S/H2O/h1H2 XLYOFNOQVPJJNP-UHFFFAOYSA-N 18.01530 18.01056 [H]O[H] CHEBI:10743 CHEBI:13352 CHEBI:27313 CHEBI:42043 CHEBI:42857 CHEBI:43228 CHEBI:44292 CHEBI:44701 CHEBI:44819 CHEBI:5585 Beilstein:3587155 CAS:7732-18-5 Gmelin:117 HMDB:HMDB0002111 KEGG:C00001 KEGG:D00001 MetaCyc:WATER MolBase:1 PDBeChem:HOH Reaxys:3587155 Wikipedia:Water WATER Water oxidane water chebi_ontology BOUND WATER H2O HOH Wasser [OH2] acqua agua aqua dihydridooxygen dihydrogen oxide eau hydrogen hydroxide CHEBI:15377 water water A p-menthan-3-ol which has (1R,2S,5R)-stereochemistry. It is the most common naturally occurring enantiomer. (-)-menthol The simplest (and the only achiral) proteinogenic amino acid, with a hydrogen atom as its side chain. glycine http://langual.org 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 Codex::640 DrugBank:DB00145 Drug_Central:1319 ECMDB:ECMDB00123 Europe::640 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 http://www.langual.org/langual_thesaurus.asp?termid=B3110 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 LanguaL curation note: See "food additive" comments. LanguaL term definition: Food additive; technological purpose(s): flavour enhancer. glycine glycine (C12H20O11)n CHEBI:10799 CHEBI:10845 CHEBI:169 CHEBI:18519 CHEBI:24854 CAS:9005-80-5 DrugBank:DB00638 KEGG:C03323 KEGG:D00171 KEGG:G10497 (2->1)-beta-D-fructofuranan Inulin chebi_ontology (1,2-beta-D-Fructosyl)n (1,2-beta-D-fructosyl)n (2,1-beta-D-Fructosyl)n (2,1-beta-D-fructosyl)n CHEBI:15443 inulin inulin A formyltetrahydrofolic acid in which the formyl group is located at position 5. 0 C20H23N7O7 InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32)/t12?,13-/m0/s1 VVIAGPKUTFNRDU-ABLWVSNPSA-N 473.43930 473.16590 [H]C(=O)N1C(CNc2ccc(cc2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CNc2nc(N)[nH]c(=O)c12 CHEBI:12127 CHEBI:18607 CHEBI:2057 CAS:58-05-9 DrugBank:DB03256 Drug_Central:1232 KEGG:C03479 KEGG:D07986 LINCS:LSM-5146 Reaxys:101688 Wikipedia:Folinic_acid N-[4-({[2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid chebi_ontology (5-formyl-5,6,7,8-tetrahydropteroyl)glutamate 10-Formyl-7,8-dihydrofolic acid 5-Formyl-5,6,7,8-tetrahydrofolic acid 5-Formyl-5,6,7,8-tetrahydropteroyl-L-glutamic acid 5-Formyltetrahydrofolate Acide folinique Folinic acid L(-)-5-Formyl-5,6,7,8-tetrahydrofolic acid Leucovorin Leucovorinum N-(5-formyl-5,6,7,8-tetrahydropteroyl)-L-glutamic acid N5-Formyl-5,6,7,8-tetrahydrofolic acid N5-Formyltetrahydrofolic acid folinate CHEBI:15640 5-formyltetrahydrofolic acid 5-formyltetrahydrofolic acid A tetraric acid that is butanedioic acid substituted by hydroxy groups at positions 2 and 3. tartaric acid (l(+)-) http://langual.org Codex::334 Europe::334 http://www.langual.org/langual_thesaurus.asp?termid=B3300 tartaric acid, l(+)- LanguaL curation note: See "food additive" comments. LanguaL term definition: Food additive; technological purpose(s): acidity regulator, antioxidant synergist, sequestrant. 2,3-dihydroxybutanedioic acid Aldehydic parent sugars (polyhydroxy aldehydes H[CH(OH)]nC(=O)H, n >= 2) and their intramolecular hemiacetals. aldose Any alpha-amino acid having L-configuration at the alpha-carbon. L-alpha-amino acid 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. primary alcohol An alpha,omega-dicarboxylic acid resulting from the formal oxidation of each of the terminal methyl groups of butane to the corresponding carboxy group. It is an intermediate metabolite in the citric acid cycle. succinic acid http://langual.org 0 C4H6O4 InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8) KDYFGRWQOYBRFD-UHFFFAOYSA-N 118.08800 118.02661 OC(=O)CCC(O)=O CHEBI:22943 CHEBI:26807 CHEBI:45639 CHEBI:9304 Beilstein:1754069 CAS:110-15-6 Codex::363 DrugBank:DB00139 Drug_Central:2487 ECMDB:ECMDB00254 Europe::363 Gmelin:2785 HMDB:HMDB0000254 KEGG:C00042 KNApSAcK:C00001205 LIPID_MAPS_instance:LMFA01170043 MetaCyc:SUC PDBeChem:SIN PMID:17439666 Reaxys:1754069 Wikipedia:Succinic_acid YMDB:YMDB00338 http://www.langual.org/langual_thesaurus.asp?termid=B3290 SUCCINIC ACID Succinic acid butanedioic acid succinic acid chebi_ontology 1,2-ethanedicarboxylic acid Bernsteinsaeure Butandisaeure Butanedionic acid Dihydrofumaric acid E363 Ethylenesuccinic acid HOOC-CH2-CH2-COOH acide butanedioique acide succinique acidum succinicum amber acid asuccin spirit of amber CHEBI:15741 LanguaL curation note: See "food additive" comments. LanguaL term definition: Food additive; technological purpose(s): acidity regulator. succinic acid succinic acid 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 palmitic acid CHEBI:15756 hexadecanoic acid hexadecanoic acid A hydroxy-1,4-naphthoquinone that is 1,4-naphthoquinone in which the hydrogen at position 5 has been replaced by a hydroxy group. A plant-derived 1,4-naphthoquinone with confirmed antibacterial and antitumor activities. 0 C10H6O3 InChI=1S/C10H6O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-5,12H KQPYUDDGWXQXHS-UHFFFAOYSA-N 174.15284 174.03169 Oc1cccc2C(=O)C=CC(=O)c12 CHEBI:12130 CHEBI:20574 CHEBI:2062 Beilstein:1909764 CAS:481-39-0 Gmelin:219094 KEGG:C03840 KNApSAcK:C00000144 PDBeChem:JUG PMID:23163769 PMID:27322260 PMID:27600097 PMID:27816681 PMID:28069455 PMID:28166217 Reaxys:1909764 5-hydroxy-1,4-naphthoquinone Juglone juglone chebi_ontology 5-Hydroxy-1,4-naphthoquinone 5-hydroxy-1,4-naphthalenedione 8-hydroxy-1,4-naphthoquinone CHEBI:15794 juglone juglone A peptide containing ten or more amino acid residues. polypeptide A long-chain fatty acid that is a C20, polyunsaturated fatty acid having four (Z)-double bonds at positions 5, 8, 11 and 14. 0 C20H32O2 InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15- YZXBAPSDXZZRGB-DOFZRALJSA-N 304.46690 304.24023 CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O CHEBI:22608 CHEBI:2799 CHEBI:40501 Beilstein:1913991 CAS:506-32-1 DrugBank:DB04557 Gmelin:58972 HMDB:HMDB0001043 KEGG:C00219 KNApSAcK:C00000388 LIPID_MAPS_instance:LMFA01030001 MetaCyc:ARACHIDONIC_ACID PDBeChem:ACD PMID:15129302 PMID:18931599 PMID:18973997 PMID:25584012 PMID:2820055 Reaxys:1913991 Wikipedia:Arachidonic_acid (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid ARACHIDONIC ACID Arachidonic acid chebi_ontology (5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoic acid (5Z,8Z,11Z,14Z)-Icosatetraenoic acid AA ARA Arachidonate Arachidonsaeure all-cis-5,8,11,14-eicosatetraenoic acid cis-5,8,11,14-Eicosatetraenoic acid cis-Delta(5,8,11,14)-eicosatetraenoic acid CHEBI:15843 arachidonic acid arachidonic acid -1 Br InChI=1S/BrH/h1H/p-1 CPELXLSAUQHCOX-UHFFFAOYSA-M 79.90400 78.91889 [Br-] CHEBI:13918 CHEBI:3178 CHEBI:49515 Beilstein:3587179 CAS:24959-67-9 Gmelin:14908 KEGG:C00720 KEGG:C01324 PDBeChem:BR Bromide bromide bromide(1-) chebi_ontology BROMIDE ION Br(-) Br- bromine anion CHEBI:15858 bromide bromide A tetrahydroxyflavone in which the four hydroxy groups are located at positions 3', 4', 5 and 7. It is thought to play an important role in the human body as an antioxidant, a free radical scavenger, an anti-inflammatory agent and an immune system modulator as well as being active against several cancers. 0 C15H10O6 InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H IQPNAANSBPBGFQ-UHFFFAOYSA-N 286.239 286.04774 OC1=CC(O)=C2C(=O)C=C(OC2=C1)C1=CC=C(O)C(O)=C1 CHEBI:12082 CHEBI:14536 CHEBI:25086 CHEBI:6578 CAS:491-70-3 Chemspider:4444102 DrugBank:DB15584 FooDB:FDB013255 HMDB:HMDB0005800 KEGG:C01514 KNApSAcK:C00000674 LINCS:LSM-5229 LIPID_MAPS_instance:LMPK12110006 MetaCyc:5734-TETRAHYDROXYFLAVONE PDBeChem:LU2 PMID:11478688 PMID:11897650 PMID:14574115 PMID:18720166 PMID:18946424 PMID:18991571 PMID:19263826 PMID:19509250 PMID:19854181 PMID:21899269 PMID:22391103 PMID:22749133 PMID:22794353 PMID:22842046 PMID:23035972 PMID:23229294 PMID:23574272 PMID:26020516 PMID:26322379 PMID:27595800 PMID:27764981 PMID:27853236 PMID:27878246 PMID:27879665 PMID:27886116 PMID:27919958 PMID:27927066 PMID:27959422 PMID:28004344 PMID:28029146 PMID:28031430 PMID:28035396 PMID:28067377 PMID:28069121 PMID:28071803 PMID:28090531 PMID:28096694 PMID:28101184 PMID:28101223 PMID:28110189 PMID:28111945 PMID:28112209 PMID:28113103 PMID:28166217 PMID:29423013 PMID:30624931 PMID:32883638 Reaxys:292084 Wikipedia:Luteolin 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one Luteolin chebi_ontology 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-benzopyrone 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one 3',4',5,7-Tetrahydroxyflavone 5,7,3',4'-Tetrahydroxyflavone Luteolol Salifazide digitoflavone flacitran CHEBI:15864 luteolin luteolin 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 sterol 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 taurine A fatty acid with a chain length ranging from C13 to C22. long-chain fatty acid A pyridinemonocarboxylic acid that is pyridine in which the hydrogen at position 3 is replaced by a carboxy group. niacin nicotinic acid http://langual.org 0 C6H5NO2 InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9) PVNIIMVLHYAWGP-UHFFFAOYSA-N 123.10944 123.03203 OC(=O)c1cccnc1 CHEBI:25538 CHEBI:44319 CHEBI:7559 AGR:IND607088605 Beilstein:109591 CAS:59-67-6 Chemspider:913 DrugBank:DB00627 Drug_Central:2835 FooDB:FDB001014 Gmelin:3340 HMDB:HMDB0001488 KEGG:C00253 KEGG:D00049 KNApSAcK:C00000208 LINCS:LSM-4676 MetaCyc:NIACINE PDBeChem:NIO PMID:10540864 PMID:113218 PMID:12563315 PMID:12789870 PMID:135660 PMID:14550884 PMID:15037193 PMID:15183629 PMID:15205990 PMID:15311728 PMID:15627518 PMID:15651982 PMID:16018787 PMID:16172771 PMID:16322787 PMID:16400392 PMID:16449845 PMID:16767301 PMID:16877271 PMID:16945375 PMID:18037924 PMID:182198 PMID:186078 PMID:18993152 PMID:18996527 PMID:19369827 PMID:19592242 PMID:19678716 PMID:19779335 PMID:20979384 PMID:21632263 PMID:22116693 PMID:22155410 PMID:22229411 PMID:22366213 PMID:22458880 PMID:22770225 PMID:24029555 PMID:24568240 PMID:24675661 PMID:24848081 PMID:24975217 PMID:25040591 PMID:25241762 PMID:25429652 PMID:32954525 PMID:33273654 PMID:33932650 PMID:34066686 PMID:34085526 PMID:34117670 PMID:4033386 PMID:4259917 PMID:582105 PMID:699281 PMID:7217784 PMID:7581845 PMID:8306147 PMID:8423912 PMID:8679452 PMID:9107536 Reaxys:109591 Wikipedia:Niacin http://www.langual.org/langual_thesaurus.asp?termid=B3757 http://www.langual.org/langual_thesaurus.asp?termid=B3772 NICOTINIC ACID Nicotinic acid nicotinic acid pyridine-3-carboxylic acid chebi_ontology 3-Pyridylcarboxylic acid 3-carboxylpyridine 3-carboxypyridine 3-pyridinecarboxylic acid Niacin Niacor Niaspan Nicotinsaure Nikotinsaeure P.P. factor PP factor acide nicotinique acido nicotinico acidum nicotinicum anti-pellagra vitamin beta-pyridinecarboxylic acid m-pyridinecarboxylic acid niacin (b3) nicotinic acid pellagra preventive factor pyridine-beta-carboxylic acid pyridine-carboxylique-3 vitamin B3 CHEBI:15940 nicotinic acid nicotinic acid An acyclic carotene commonly obtained from tomatoes and other red fruits. lycopene http://langual.org 0 C40H56 InChI=1S/C40H56/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-22,25-32H,13-14,23-24H2,1-10H3/b12-11+,25-15+,26-16+,31-17+,32-18+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+ OAIJSZIZWZSQBC-GYZMGTAESA-N 536.87264 536.43820 CC(C)=CCC\C(C)=C\C=C\C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C=C(/C)CCC=C(C)C CHEBI:14541 CHEBI:26367 CHEBI:43789 CHEBI:6596 Beilstein:1730097 CAS:502-65-8 COMe:MOL000048 Codex::160e Drug_Central:4617 Europe::160d HMDB:HMDB0003000 KEGG:C05432 KNApSAcK:C00000911 LIPID_MAPS_instance:LMPR01070257 MetaCyc:CPD1F-114 PDBeChem:LYC PMID:11117277 PMID:15341191 PMID:24397737 Reaxys:1730097 Wikipedia:Lycopene http://www.langual.org/langual_thesaurus.asp?termid=B3134 LYCOPENE Lycopene psi,psi-carotene chebi_ontology (6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene all-trans-lycopene lycopenes CHEBI:15948 LanguaL curation note: See "food additive" comments. LanguaL term definition: Food additive; technological purpose(s): colour. lycopene lycopene An organic heterobicyclic compound that consists of 2-oxohexahydro-1H-thieno[3,4-d]imidazole having a valeric acid substituent attached to the tetrahydrothiophene ring. The parent of the class of biotins. biotin http://langual.org 0 C10H16N2O3S InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1 YBJHBAHKTGYVGT-ZKWXMUAHSA-N 244.31172 244.08816 [H][C@]12CS[C@@H](CCCCC(O)=O)[C@@]1([H])NC(=O)N2 CHEBI:13905 CHEBI:22882 CHEBI:22884 CHEBI:3108 CHEBI:41236 Beilstein:86838 CAS:58-85-5 COMe:MOL000144 Chemspider:149962 DrugBank:DB00121 Drug_Central:373 FooDB:FDB014510 Gmelin:1918703 HMDB:HMDB0000030 KEGG:C00120 KEGG:D00029 KNApSAcK:C00000756 LINCS:LSM-3994 MetaCyc:BIOTIN PDBeChem:BTN PMCID:PMC8089577 PMID:10064317 PMID:10215065 PMID:10577274 PMID:11435506 PMID:11481419 PMID:11800048 PMID:12055344 PMID:12070309 PMID:12603856 PMID:12803839 PMID:15012185 PMID:15202718 PMID:15272000 PMID:15690449 PMID:15863846 PMID:15899401 PMID:15992684 PMID:16011464 PMID:16195795 PMID:16419467 PMID:16676358 PMID:16677798 PMID:16704206 PMID:16769720 PMID:17297119 PMID:1814646 PMID:18202531 PMID:18452485 PMID:18509457 PMID:19212411 PMID:19319844 PMID:19727438 PMID:19928962 PMID:20967359 PMID:20974274 PMID:2100006 PMID:21248194 PMID:21356565 PMID:21373679 PMID:21596550 PMID:21871906 PMID:25515858 PMID:33346513 PMID:33461365 PMID:34077272 PMID:8333586 PMID:8750932 PMID:9022537 PMID:9038855 PMID:9094878 PMID:9164991 PMID:9176832 PMID:9371938 PMID:9416479 Reaxys:86838 Wikipedia:Biotin http://www.langual.org/langual_thesaurus.asp?termid=B3762 5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid BIOTIN chebi_ontology (+)-cis-Hexahydro-2-oxo-1H-thieno[3,4]imidazole-4-valeric acid (3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4-valeric acid 5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acid Coenzyme R D-(+)-biotin D-Biotin Vitamin H biotin biotina biotine biotinum cis-(+)-Tetrahydro-2-oxothieno[3,4]imidazoline-4-valeric acid cis-Hexahydro-2-oxo-1H-thieno(3,4)imidazole-4-valeric acid cis-Tetrahydro-2-oxothieno(3,4-d)imidazoline-4-valeric acid vitamin B7 CHEBI:15956 biotin biotin A class of glycerophospholipids in which a phosphatidyl group is esterified to the hydroxy group of ethanolamine. 0 C7H12NO8PR2 269.146 269.03005 O(P(=O)(OCCN)O)CC(OC(*)=O)COC(*)=O CHEBI:12701 CHEBI:14803 CHEBI:26030 CHEBI:26031 CHEBI:7661 CHEBI:8129 DrugBank:DB04327 HMDB:HMDB0060501 KEGG:C00350 LIPID_MAPS_instance:LMGP02010000 PMID:10540156 PMID:11042504 PMID:11159918 PMID:11829744 PMID:12139474 PMID:15653902 PMID:16037249 PMID:16303767 PMID:16620109 PMID:18034796 PMID:18259190 PMID:18398168 PMID:18462396 PMID:18570887 PMID:18957134 PMID:19393163 PMID:23354482 PMID:23369752 PMID:23543734 PMID:3196084 PMID:7980848 Wikipedia:Phosphatidylethanolamine Phosphatidylethanolamine phosphatidyl(amino)ethanols phosphatidylethanolamines chebi_ontology (3-Phosphatidyl)-ethanolamine (3-Phosphatidyl)ethanolamine 1,2-diacyl-sn-glycero-3-phosphoethanolamine 1-Acyl-2-acyl-sn-glycero-3-phosphoethanolamine Cephalin O-(1-beta-Acyl-2-acyl-sn-glycero-3-phospho)ethanolamine PE PtdEtn phosphatidylethanolamines CHEBI:16038 phosphatidylethanolamine phosphatidylethanolamine A cinnamate ester obtained by formal condensation of the carboxy group of trans-caffeic acid with the 3-hydroxy group of quinic acid. It is an intermediate metabolite in the biosynthesis of lignin. 0 C16H18O9 InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1 CWVRJTMFETXNAD-JUHZACGLSA-N 354.30870 354.09508 O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@@H]1O)C(O)=O CHEBI:13972 CHEBI:23145 CHEBI:3625 CAS:327-97-9 HMDB:HMDB0003164 KEGG:C00852 KNApSAcK:C00002724 MetaCyc:CAFFEOYLQUINATE PMID:16507475 PMID:22770225 Reaxys:2017157 Wikipedia:Chlorogenic_acid Chlorogenic acid edit(1S,3R,4R,5R)-3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid chebi_ontology 3-(3,4-Dihydroxycinnamoyl)quinic acid 3-Caffeoylquinic acid 3-O-Caffeoylquinic acid 5-O-(3,4-Dihydroxycinnamoyl)-L-quinic acid Caffeoyl quinic acid Chlorogenate [1S-(1alpha,3beta,4alpha,5alpha)]3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid trans-5-O-Caffeoyl-D-quinate CHEBI:16112 chlorogenic acid chlorogenic acid 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 cholesterol A cyclohexenecarboxylic acid that is cyclohex-1-ene-1-carboxylic acid substituted by hydroxy groups at positions 3, 4 and 5 (the 3R,4S,5R stereoisomer). It is an intermediate metabolite in plants and microorganisms. 0 C7H10O5 InChI=1S/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,8-10H,2H2,(H,11,12)/t4-,5-,6-/m1/s1 JXOHGGNKMLTUBP-HSUXUTPPSA-N 174.15130 174.05282 O[C@@H]1CC(=C[C@@H](O)[C@H]1O)C(O)=O CHEBI:26662 CHEBI:26664 CHEBI:45740 CHEBI:9133 Beilstein:2210055 CAS:138-59-0 HMDB:HMDB0003070 KEGG:C00493 KNApSAcK:C00001203 PDBeChem:SKM PMID:24190737 PMID:24628944 PMID:24783849 PMID:24836188 PMID:24894540 PMID:24981409 Reaxys:2210055 Wikipedia:Shikimic_acid (3R,4S,5R)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid Shikimic acid chebi_ontology 3,4,5-Trihydroxy-1-cyclohexenecarboxylic acid 3alpha,4alpha,5beta-trihydroxy-1-cyclohexene-1-carboxylic acid L-shikimic acid Shikimate [3R-(3alpha,4alpha,5beta)]-3,4,5-trihydroxy-1-cyclohexene-1-carboxylic acid CHEBI:16119 shikimic acid shikimic acid An octadec-9-enoic acid in which the double bond at C-9 has Z (cis) stereochemistry. 0 C18H34O2 InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9- ZQPPMHVWECSIRJ-KTKRTIGZSA-N 282.46140 282.25588 CCCCCCCC\C=C/CCCCCCCC(O)=O CHEBI:104361 CHEBI:25664 CHEBI:44741 CHEBI:7741 Beilstein:1726542 CAS:112-80-1 DrugBank:DB04224 Drug_Central:3400 ECMDB:ECMDB21348 Gmelin:109551 Gmelin:57556 HMDB:HMDB0000207 KEGG:C00712 KEGG:D02315 KNApSAcK:C00001232 LIPID_MAPS_instance:LMFA01030002 PDBeChem:OLA PMID:11304127 PMID:15325315 PMID:15723125 PMID:18772370 PMID:19761868 PMID:23844805 PMID:24819471 PMID:25584012 PMID:25794012 PMID:5332408 PMID:6205897 Reaxys:1726542 Wikipedia:Oleic_acid (9Z)-octadec-9-enoic acid OLEIC ACID Oleic acid chebi_ontology (9Z)-Octadecenoic acid (Z)-Octadec-9-enoic acid 18:1 n-9 18:1Delta9cis C18:1 n-9 FA 18:1 Octadec-9-enoic acid Oelsaeure Oleate cis-9-octadecenoic acid cis-Delta(9)-octadecenoic acid cis-oleic acid CHEBI:16196 oleic acid oleic acid A carbonyl group with two C-bound amine groups. The commercially available fertilizer has an analysis of 46-0-0 (N-P2O5-K2O). carbamide http://langual.org Codex::927b Europe::927b http://www.langual.org/langual_thesaurus.asp?termid=B3058 urea (carbamide) LanguaL curation note: See "food additive" comments. LanguaL term definition: Food additive; technological purpose(s): flour treatment agent. urea A benzenetriol with hydroxy groups at position 1, 3 and 5. 0 C6H6O3 InChI=1S/C6H6O3/c7-4-1-5(8)3-6(9)2-4/h1-3,7-9H QCDYQQDYXPDABM-UHFFFAOYSA-N 126.11004 126.03169 Oc1cc(O)cc(O)c1 CHEBI:11159 CHEBI:14788 CHEBI:22710 CHEBI:8114 CAS:108-73-6 Drug_Central:2153 HMDB:HMDB0013675 KEGG:C02183 KEGG:D00152 KNApSAcK:C00002665 MetaCyc:CPD-16 PMID:25456733 PMID:25640118 Reaxys:1341907 UM-BBD_compID:c0026 Wikipedia:Phloroglucinol Phloroglucinol benzene-1,3,5-triol chebi_ontology 1,3,5-Benzenetriol 1,3,5-Trihydroxybenzene 1,3,5-trihydroxybenzene benzene-1,3,5-triol s-Trihydroxybenzene CHEBI:16204 phloroglucinol phloroglucinol A primary alcohol that is ethane in which one of the hydrogens is substituted by a hydroxy group. ethanol A pentahydroxyflavone having the five hydroxy groups placed at the 3-, 3'-, 4'-, 5- and 7-positions. It is one of the most abundant flavonoids in edible vegetables, fruit and wine. 0 C15H10O7 InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H REFJWTPEDVJJIY-UHFFFAOYSA-N 302.23570 302.04265 Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O CHEBI:11704 CHEBI:14991 CHEBI:26472 CHEBI:45280 CHEBI:8696 Beilstein:317313 CAS:117-39-5 DrugBank:DB04216 Drug_Central:3514 Gmelin:579210 HMDB:HMDB0005794 KEGG:C00389 KNApSAcK:C00004631 LINCS:LSM-4199 LIPID_MAPS_instance:LMPK12110004 MetaCyc:CPD-520 PDBeChem:QUE PMID:16226777 PMID:17015250 PMID:17135030 PMID:17426744 PMID:18096136 PMID:18484521 PMID:18549926 PMID:18564899 PMID:18579649 PMID:18785622 PMID:19461927 PMID:22920589 PMID:23342112 PMID:23359794 PMID:27565033 PMID:27589790 PMID:27591927 PMID:27704720 Patent:KR20120121684 Patent:US2013012577 Reaxys:317313 Wikipedia:Quercetin 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one Quercetin chebi_ontology 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one 3,3',4',5,7-pentahydroxyflavone 3,5,7,3',4'-PENTAHYDROXYFLAVONE 3,5,7,3',4'-Pentahydroxyflavone sophoretin xanthaurine CHEBI:16243 quercetin quercetin A lipid containing phosphoric acid as a mono- or di-ester. The term encompasses phosphatidic acids and phosphoglycerides. CHEBI:14816 CHEBI:26063 CHEBI:8150 KEGG:C00865 Phospholipid chebi_ontology a phospholipid derivative phospholipids CHEBI:16247 phospholipid phospholipid Any member of the class of menaquinones that is 2-methyl-1,4-naphthoquinone with an unsaturated isoprenoid chain at the 3-position. 0 (C5H8)nC11H8O2 CHEBI:14582 CHEBI:25184 CHEBI:6749 CAS:11032-49-8 KEGG:C00828 Wikipedia:Vitamin_K2 Menaquinone chebi_ontology MK-n Menatetrenone a menaquinone menaquinone-n vitamin K2 CHEBI:16374 menaquinone menaquinone Any benzoquinone derived from 2,3-dimethoxy-5-methylbenzoquinone; one of a group of naturally occurring homologues. The redox-active quinoid moiety usually carries a polyprenoid side chain at position 6, the number of isoprenoid units in which is species-specific. Ubiquinones are involved in the control of mitochondrial electron transport, and are also potent anti-oxidants. ubiquinones An alpha-amino acid that consists of propionic acid bearing an amino substituent at position 2. 0 C3H7NO2 InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6) QNAYBMKLOCPYGJ-UHFFFAOYSA-N 89.09322 89.04768 CC(N)C(O)=O CHEBI:13748 CHEBI:22277 CHEBI:2539 Beilstein:635807 CAS:302-72-7 Drug_Central:4306 Gmelin:2449 KEGG:C01401 PMID:17439666 PMID:22264337 Reaxys:635807 Wikipedia:Alanine 2-aminopropanoic acid Alanine alanine chebi_ontology 2-Aminopropanoic acid 2-Aminopropionic acid A ALA Alanin alanina CHEBI:16449 alanine alanine A one-carbon compound with formula CO2 in which the carbon is attached to each oxygen atom by a double bond. A colourless, odourless gas under normal conditions, it is produced during respiration by all animals, fungi and microorganisms that depend directly or indirectly on living or decaying plants for food. carbon dioxide http://langual.org Codex::290 Europe::290 http://www.langual.org/langual_thesaurus.asp?termid=B3059 LanguaL curation note: See "food additive" comments. LanguaL term definition: Food additive; technological purpose(s): carbonating agent, packaging gas, preservative, propellant. carbon dioxide A trisaccharide composed of alpha-D-galactopyranose, alpha-D-glucopyranose and beta-D-fructofuranose joined in sequence by 1->6 and 1<->2 glycosidic linkages, respectively. 0 C18H32O16 InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2/t5-,6-,7-,8+,9-,10-,11+,12+,13-,14-,15+,16+,17-,18+/m1/s1 MUPFEKGTMRGPLJ-ZQSKZDJDSA-N 504.43710 504.16903 OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O CHEBI:15015 CHEBI:26521 CHEBI:49843 CHEBI:8771 CAS:512-69-6 HMDB:HMDB0003213 KEGG:C00492 KEGG:G00249 KNApSAcK:C00001145 MetaCyc:CPD-1099 PDBeChem:RAF PMID:23317449 PMID:23879777 PMID:23882273 PMID:24001862 PMID:24354450 PMID:24360500 Reaxys:99543 Wikipedia:Raffinose Raffinose beta-D-fructofuranosyl alpha-D-galactopyranosyl-(1->6)-alpha-D-glucopyranoside raffinose chebi_ontology 6G-alpha-D-galactosylsucrose Gossypose Melitose Melitriose alpha-D-Galp-(1->6)-alpha-D-Glcp-(1<->2)-beta-D-Fruf alpha-D-galactopyranosyl-(1->6)-alpha-D-glucopyranosyl beta-D-fructofuranoside rafinose raflinose CHEBI:16634 raffinose raffinose Any member of the class of organooxygen compounds that is a polyhydroxy-aldehyde or -ketone or a lactol resulting from their intramolecular condensation (monosaccharides); substances derived from these by reduction of the carbonyl group (alditols), by oxidation of one or more hydroxy groups to afford the corresponding aldehydes, ketones, or carboxylic acids, or by replacement of one or more hydroxy group(s) by a hydrogen atom; and polymeric products arising by intermolecular acetal formation between two or more such molecules (disaccharides, polysaccharides and oligosaccharides). Carbohydrates contain only carbon, hydrogen and oxygen atoms; prior to any oxidation or reduction, most have the empirical formula Cm(H2O)n. Compounds obtained from carbohydrates by substitution, etc., are known as carbohydrate derivatives and may contain other elements. Cyclitols are generally not regarded as carbohydrates. CHEBI:15131 CHEBI:23008 CHEBI:9318 Wikipedia:Carbohydrate carbohydrate carbohydrates chebi_ontology Kohlenhydrat Kohlenhydrate carbohidrato carbohidratos glucide glucides glucido glucidos hydrates de carbone saccharide saccharides saccharidum CHEBI:16646 carbohydrate carbohydrate Amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another with formal loss of water. The term is usually applied to structures formed from alpha-amino acids, but it includes those derived from any amino carboxylic acid. X = OH, OR, NH2, NHR, etc. peptide A group of plant storage proteins having a high proline amino acid content. AGR:IND606466950 PMID:2183790 PMID:31318957 Wikipedia:Prolamin chebi_ontology prolamins CHEBI:166885 prolamin prolamin A complex of six monomers, has a predominantly beta-sheet-containing secondary structure PMID:23192340 Wikipedia:https://en.wikipedia.org/wiki/Cruciferin chebi_ontology CHEBI:166886 cruciferin cruciferin Proteins with high-molecular-mass (HMW) and low-molecular-mass (LMW) subunits with molar masses from about 200,000 to a few million, which are stabilized by intermolecular disulfide bonds, hydrophobic interactions and other forces. Glutenin is responsible for the strength and elasticity of dough PMID:28552833 Wikipedia:https://en.wikipedia.org/wiki/Glutenin chebi_ontology CHEBI:166887 glutenin glutenin A stigmastane sterol that is 5alpha-stigmastane carrying a hydroxy group at position 3beta and double bonds at positions 7 and 24. 0 C29H48O InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h7,11,19-20,22-23,25-27,30H,8-10,12-18H2,1-6H3/b21-7-/t20-,22+,23+,25-,26+,27+,28+,29-/m1/s1 MCWVPSBQQXUCTB-OQTIOYDCSA-N 412.702 412.37052 [H][C@@]1(CC[C@@]2([H])C3=CC[C@@]4([H])C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC\C(=C\C)C(C)C CHEBI:80096 AGR:IND606116260 AGR:IND606555602 AGR:IND606838474 AGR:IND606982361 AGR:IND606998166 CAS:23290-26-8 Chemspider:4444703 FooDB:FDB030685 HMDB:HMDB0006851 KEGG:C15782 KNApSAcK:C00007322 LIPID_MAPS_instance:LMST01040154 MetaCyc:CPD-4125 PMID:11829639 PMID:20557911 PMID:28078712 PMID:30178878 PMID:31368539 PMID:31373097 PMID:32468588 PMID:32549600 Wikipedia:Avenasterol (24Z)-5alpha-stigmasta-7,24(28)-dien-3beta-ol chebi_ontology (Z)-24-ethylidene-5alpha-cholest-7-en-3beta-ol 24Z-ethylidene-cholest-7-en-3beta-ol 24Z-ethylidenelathosterol 7-dehydroavenasterol Delta(7)-avenasterol Delta-7-avenasterol delta-7-avenasterol delta7-avenasterol CHEBI:166888 avenasterol avenasterol 0 C29H46O InChI=1S/C29H46O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-11,19-21,23,25-27,30H,7,12-18H2,1-6H3/b9-8+/t20-,21-,23+,25-,26+,27+,28+,29-/m1/s1 OQMZNAMGEHIHNN-CIFIHVIMSA-N 410.686 410.35487 O([C@@]1(C(C=2[C@@]([C@@]3(C([C@]4([C@@]([C@](C(C4([H])[H])([H])[H])([C@](C([H])([H])[H])(/C(=C(/[C@](C(C([H])([H])[H])(C([H])([H])[H])[H])(C(C([H])([H])[H])([H])[H])[H])\[H])/[H])[H])[H])(C(C3([H])[H])([H])[H])C([H])([H])[H])[H])=C(C2[H])[H])[H])(C(C1([H])[H])([H])[H])C([H])([H])[H])([H])[H])[H])[H] CAS:481-19-6 chebi_ontology Corbisterol CHEBI:166889 delta7-stigmasterol delta7-stigmasterol 0 C5H10O5 InChI=1S/C5H10O5/c6-1-4(9)5(10,2-7)3-8/h1,4,7-10H,2-3H2/t4-/m0/s1 AVGPOAXYRRIZMM-BYPYZUCNSA-N 150.12990 150.05282 OCC(O)(CO)[C@@H](O)C=O CHEBI:12911 CHEBI:20908 CHEBI:4099 CHEBI:57860 CAS:639-97-4 KEGG:C01488 3-C-(hydroxymethyl)-D-glycero-tetrose D-Apiose chebi_ontology 3-C-Hydroxymethyltetrose Apiose D-Api aldehydo-D-apiose apiose CHEBI:16689 D-apiose D-apiose Phenols that include substances containing a phenolic ring and at least one organic carboxylic acid function. CAS:29656-58-4 Wikipedia:https://en.wikipedia.org/wiki/Phenolic_acid chebi_ontology phenolcarboxylic acids CHEBI:166890 phenolic acid phenolic acid Phenylpropane is a colorless liquid. The compound consists of a phenyl group attached to allyl. Phenylpropene isomerizes to trans-propenylbenzene. CAS:300-57-2 Wikipedia:https://en.wikipedia.org/wiki/Phenylpropene chebi_ontology CHEBI:166891 phenylpropane phenylpropane The non-sugar compound remaining after replacement of the glycosyl group from a glycoside by a hydrogen atom. Wikipedia:Aglycone chebi_ontology aglycon genin CHEBI:166892 aglycone aglycone 0 C20H32O2 InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h12-19H,2-11H2,1H3,(H,21,22)/b13-12+,15-14+,17-16+,19-18+ IQLUYYHUNSSHIY-HZUMYPAESA-N 304.474 304.24023 O(C(=O)\C(=C(\C(=C(\C(=C(\C(=C(\C(C(C(C(C(C(C(C(C(C(C([H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])/[H])\[H])/[H])\[H])/[H])\[H])/[H])\[H])[H] Wikipedia:https://en.wikipedia.org/wiki/Eicosatetraenoic_acid chebi_ontology CHEBI:166893 eicosatetraenoic acid eicosatetraenoic acid 0 C24H20O9 InChI=1S/C24H20O9/c1-29-14-7-6-11(8-12(14)26)22-18(10-25)33-23-17(32-22)9-13(27)19-21(28)20-15(30-2)4-3-5-16(20)31-24(19)23/h3-9,18,22,25-27H,10H2,1-2H3 JVIFPKVYVMFZHK-UHFFFAOYSA-N 452.415 452.11073 O1C(C(OC2=C1C=3OC4=C(C(=O)C3C(O[H])=C2[H])C(OC([H])([H])[H])=C(C(=C4[H])[H])[H])(C5=C(C(O[H])=C(OC([H])([H])[H])C(=C5[H])[H])[H])[H])(C(O[H])([H])[H])[H] PMID:12570717 chebi_ontology CHEBI:166894 xanthonolignoid xanthonolignoid oligomeric compounds, formed from catechin and epicatechin molecules. They yield cyanidin when depolymerized under oxidative conditions. 0 C30H26O13 InChI=1S/C30H26O13/c31-14-7-19(35)16-11-25(28(41-23(16)9-14)12-1-3-17(33)20(36)5-12)43-30(13-2-4-18(34)21(37)6-13)29(40)27(39)26-22(38)8-15(32)10-24(26)42-30/h1-10,25,27-29,31-40H,11H2 HGVVOUNEGQIPMS-UHFFFAOYSA-N 594.525 594.13734 O(C1(OC=2C(C(O[H])(C1(O[H])[H])[H])=C(O[H])C(=C(O[H])C2[H])[H])C3=C(C(O[H])=C(O[H])C(=C3[H])[H])[H])C4(C(OC=5C(C4([H])[H])=C(O[H])C(=C(O[H])C5[H])[H])(C6=C(C(O[H])=C(O[H])C(=C6[H])[H])[H])[H])[H] CAS:4852-22-6 Wikipedia:https://en.wikipedia.org/wiki/Procyanidin chebi_ontology CHEBI:166895 procyanidin procyanidin Peltogynoid compounds, differing from other flavonoids by the presence of a fourth ring, have been isolated from a small group of species, however, their biological activities remain to be defined. chebi_ontology CHEBI:166896 peltogynoid peltogynoid compounds having a coumarin skeleton and having an aryl structure at the 3-position PMID:30746966 chebi_ontology CHEBI:166897 3-arylcoumarin 3-arylcoumarin Allomelanin is a type of nitrogen-free melanin most commonly found in fungi PMID:31524373 chebi_ontology CHEBI:166898 allomelanin allomelanin One of the major classifications of proteins, which may be further divided into the euglobulins and the pseudoglobulins. The former group is insoluble in water but soluble in saline solutions and may be precipitated in water that has been half-saturated with a salt such as ammonium sulfate. The latter group is soluble in water and has properties that resemble those of the true globulins. Globulins are an important source of protein in seed plants and are found in minute amounts in cereals. Globulins found in animal fluids are enzymes, antibodies, and fibrous and contractile proteins usually contained in the blood plasma. Wikipedia:https://en.wikipedia.org/wiki/Globulin chebi_ontology CHEBI:166899 globulin type globulin type Family of globular proteins, the most common of which are the serum albumins. All the proteins of the albumin family are water-soluble, moderately soluble in concentrated salt solutions, and experience heat denaturation. PMID:32481022 Wikipedia:https://en.wikipedia.org/wiki/Albumin#Other_albumin_types chebi_ontology CHEBI:166964 albumin type albumin type Simple oxygenated xanthones are subdivided according to the degree of oxygenation into non-, mono-, di-, tri-, tetra-, penta-, and hexaoxygenated substances. In these xanthones the substituents are simple hydroxy, methoxy, or methyl groups. About 150 simple oxygenated xanthones have been reported. chebi_ontology CHEBI:166965 simple oxygenated xanthones simple oxygenated xanthones These xanthones are usually restricted to the plant species of the family Guttiferae. The major C5 unit of the substituents included the commonly found 3-methylbut-2-enyl or isoprenyl group as in isoemericellin and the less frequent 3-hydroxy-3-methylbutyl as in nigrolineaxanthone P and 1,1-dimethylprop-2-enyl as in globuxanthone, respectively. chebi_ontology CHEBI:166966 prenylated and related xanthones prenylated and related xanthones A cis configuration means that the two hydrogen atoms adjacent to the double bond stick out on the same side of the chain. The rigidity of the double bond freezes its conformation and, in the case of the cis isomer, causes the chain to bend and restricts the conformational freedom of the fatty acid. The more double bonds the chain has in the cis configuration, the less flexibility it has. When a chain has many cis bonds, it becomes quite curved in its most accessible conformations. Wikipedia:https://en.wikipedia.org/wiki/Fatty_acid chebi_ontology CHEBI:166967 cis-fatty acid cis-fatty acid A trans configuration in contrast to the cis, means that the adjacent two hydrogen atoms lie on opposite sides of the chain. As a result, they do not cause the chain to bend much, and their shape is similar to straight saturated fatty acids. Wikipedia:https://en.wikipedia.org/wiki/Fatty_acid chebi_ontology CHEBI:166968 trans-fatty acid trans-fatty acid A ribosyl or deoxyribosyl derivative of a pyrimidine or purine base in which C-5 of the ribose ring is mono-, di-, tri- or tetra-phosphorylated. nucleoside 5'-phosphate A hydroxymethylpyridine with hydroxymethyl groups at positions 4 and 5, a hydroxy group at position 3 and a methyl group at position 2. The 4-methanol form of vitamin B6, it is converted intoto pyridoxal phosphate which is a coenzyme for synthesis of amino acids, neurotransmitters, sphingolipids and aminolevulinic acid. 0 C8H11NO3 InChI=1S/C8H11NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,10-12H,3-4H2,1H3 LXNHXLLTXMVWPM-UHFFFAOYSA-N 169.180 169.07389 CC1=C(O)C(CO)=C(CO)C=N1 CHEBI:14981 CHEBI:26429 CHEBI:8671 AGR:IND607198670 Beilstein:139854 CAS:65-23-6 Chemspider:1025 DrugBank:DB00165 Drug_Central:2836 FooDB:FDB000574 Gmelin:563676 HMDB:HMDB0000239 KEGG:C00314 KEGG:D08454 KNApSAcK:C00001551 LINCS:LSM-5324 MetaCyc:PYRIDOXINE PDBeChem:UEG PMID:10687314 PMID:10894227 PMID:11562405 PMID:12640345 PMID:12768081 PMID:13046427 PMID:15132238 PMID:15369738 PMID:15756083 PMID:16236150 PMID:16277693 PMID:16690736 PMID:17044573 PMID:22932811 PMID:24035968 PMID:24601602 PMID:2580028 PMID:27113583 PMID:2885064 PMID:31093449 PMID:32105687 PMID:33549283 PMID:33665688 PMID:3710434 PMID:559690 PMID:6624427 PMID:6801073 PMID:9625217 Reaxys:139854 Wikipedia:Pyridoxine 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol pyridoxine chebi_ontology 2-Methyl-3-hydroxy-4,5-dihydroxymethyl-pyridin 2-methyl-3-hydroxy-4,5-bis(hydroxymethyl)pyridine 2-methyl-3-hydroxy-4,5-di(hydroxymethyl)pyridine 2-methyl-3-hydroxy-4,5-dihydroxymethylpyridine 2-methyl-4,5-bis(hydroxymethyl)-3-hydroxypyridine 2-methyl-4,5-dimethylol-pyridin-3-ol 3-hydroxy-2-picoline-4,5-dimethanol 3-hydroxy-4,5-bis(hydroxymethyl)-2-methylpyridine 3-hydroxy-4,5-dimethylol-alpha-picoline 4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol 5-hydroxy-6-methyl-3,4-pyridinedimethanol Pyridoxol piridossina pyridoxina pyridoxine pyridoxinum pyridoxolum vitamin B6 CHEBI:16709 pyridoxine pyridoxine A mineral that is an inorganic nutrient which must be ingested and absorbed in adequate amounts to satisfy a wide range of essential metabolic and/or structural functions in the human body A mineral that is an inorganic nutrient which must be ingested and absorbed in adequate amounts to satisfy a wide range of essential metabolic and/or structural functions in the human body. Wikipedia:Mineral_(nutrient) essential mineral, element mineral nutrient chebi_ontology mineral nutrients nutrient mineral nutrient minerals CHEBI:167164 mineral nutrient mineral nutrient A member of the class of anthocyanin chlorides that has cyanidin 3-O-rutinoside as the cationic counterpart. 0 C27H31ClO15 InChI=1S/C27H30O15.ClH/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10;/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31);1H/t9-,18+,19-,20+,21+,22-,23+,24+,26+,27+;/m0./s1 ADZHXBNWNZIHIX-XYGAWYNKSA-N 630.97900 630.13515 [Cl-].C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O CHEBI:14039 CHEBI:23431 CHEBI:3976 CAS:18719-76-1 KEGG:C04491 KEGG:D08097 KNApSAcK:C00002376 2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenium-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside chloride chebi_ontology Antirrhinin Cyanidin 3-rutinoside Cyanidin-3-rhamnoglucoside chloride Keracyanin Prunicyanin Sambucin CHEBI:16726 cyanidin 3-O-rutinoside chloride cyanidin 3-O-rutinoside chloride Any oligosaccharide, polysaccharide or their derivatives consisting of monosaccharides or monosaccharide derivatives linked by glycosidic bonds. See also http://www.ontobee.org/ontology/GNO?iri=http://purl.obolibrary.org/obo/GNO_00000001. glycan A member of the class of acetamides that is acetamide in which one of the hydrogens attached to the nitrogen atom is replaced by a 2-(5-methoxy-1H-indol-3-yl)ethyl group. It is a hormone secreted by the pineal gland in humans. melatonin A sulfur-containing amino acid that is butyric acid bearing an amino substituent at position 2 and a methylthio substituent at position 4. 0 C5H11NO2S InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8) FFEARJCKVFRZRR-UHFFFAOYSA-N 149.21238 149.05105 CSCCC(N)C(O)=O CHEBI:14590 CHEBI:25229 CHEBI:6829 Beilstein:636185 CAS:59-51-8 Gmelin:3117 KEGG:C01733 KEGG:D04983 PMID:16702333 PMID:22264337 PMID:2543976 Reaxys:636185 UM-BBD_compID:c0094 Wikipedia:Methionine Methionine methionine chebi_ontology 2-Amino-4-(methylthio)butyric acid 2-amino-4-(methylsulfanyl)butanoic acid 2-amino-4-(methylthio)butanoic acid DL-Methionine Hmet M Met Methionin Racemethionine alpha-amino-gamma-methylmercaptobutyric acid metionina CHEBI:16811 methionine methionine 13'-Carboxy-gamma-tocopherol A monohydroxybenzoic acid that is benzoic acid with a hydroxy group at the ortho position. It is obtained from the bark of the white willow and wintergreen leaves. 0 C7H6O3 InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10) YGSDEFSMJLZEOE-UHFFFAOYSA-N 138.12070 138.03169 OC(=O)c1ccccc1O CHEBI:26597 CHEBI:45521 CHEBI:9006 Beilstein:774890 CAS:69-72-7 DrugBank:DB00936 Drug_Central:2416 Gmelin:3418 HMDB:HMDB0001895 KEGG:C00805 KEGG:D00097 KNApSAcK:C00000206 LINCS:LSM-4763 MetaCyc:CPD-110 PDBeChem:SAL PMID:11016405 PMID:12865403 PMID:1650428 PMID:19400653 PMID:19816125 PMID:22770225 PMID:29079364 PMID:32807953 PMID:3425858 Reaxys:774890 Wikipedia:Salicylic_Acid 2-hydroxybenzoic acid Salicylic acid chebi_ontology 2-HYDROXYBENZOIC ACID 2-carboxyphenol o-Hydroxybenzoic acid o-carboxyphenol o-hydroxybenzoic acid CHEBI:16914 salicylic acid salicylic acid A phytosterol consisting of ergostane having double bonds at the 5,6-, 7,8- and 22,23-positions as well as a 3beta-hydroxy group. 0 C28H44O InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7+/t19-,20+,22-,24+,25-,26-,27-,28+/m0/s1 DNVPQKQSNYMLRS-APGDWVJJSA-N 396.64836 396.33922 [H][C@@]1(CC[C@@]2([H])C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)\C=C\[C@H](C)C(C)C CHEBI:14214 CHEBI:23942 CHEBI:42264 CHEBI:4825 Beilstein:2338604 CAS:57-87-4 DrugBank:DB04038 KEGG:C01694 KNApSAcK:C00003652 KNApSAcK:C00023755 LIPID_MAPS_instance:LMST01030093 PDBeChem:ERG Reaxys:2338604 (22E)-ergosta-5,7,22-trien-3beta-ol ERGOSTEROL Ergosterol ergosterol chebi_ontology (22E,24S)-24-methylcholesta-5,7,22-trien-3beta-ol Provitamin D2 CHEBI:16933 ergosterol ergosterol An apigenin flavone glycoside, which is found in the passion flower, bamboo leaves and pearl millet 0 C21H20O10 InChI=1S/C21H20O10/c22-7-14-17(27)18(28)19(29)21(31-14)16-11(25)5-10(24)15-12(26)6-13(30-20(15)16)8-1-3-9(23)4-2-8/h1-6,14,17-19,21-25,27-29H,7H2/t14-,17-,18+,19-,21+/m1/s1 SGEWCQFRYRRZDC-VPRICQMDSA-N 432.37750 432.10565 OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1 CHEBI:10012 CHEBI:15315 CHEBI:27308 CAS:3681-93-4 KEGG:C01460 KNApSAcK:C00001110 LIPID_MAPS_instance:LMPK12110194 MetaCyc:VITEXIN PMID:21809948 PMID:22408451 PMID:22683902 PMID:22941432 PMID:23099258 Reaxys:67796 Wikipedia:Vitexin (1S)-1,5-anhydro-1-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]-D-glucitol Vitexin chebi_ontology Apigenin 8-C-glucoside apigenin 8-C-glucoside CHEBI:16954 vitexin vitexin A polysaccharide composed of two or more different types of monosaccharides, heteroglycan An alpha,omega-dicarboxylic acid that is ethane substituted by carboxyl groups at positions 1 and 2. 0 C2H2O4 InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6) MUBZPKHOEPUJKR-UHFFFAOYSA-N 90.03490 89.99531 OC(=O)C(O)=O CHEBI:25730 CHEBI:44583 CHEBI:7811 Beilstein:385686 CAS:144-62-7 DrugBank:DB03902 Gmelin:2208 HMDB:HMDB0002329 KEGG:C00209 KNApSAcK:C00001198 LIPID_MAPS_instance:LMFA01170031 MetaCyc:OXALATE PDBeChem:OXD PMID:15587083 PMID:22735334 Reaxys:385686 Wikipedia:Oxalic_acid OXALIC ACID Oxalic acid oxalic acid chebi_ontology Ethandisaeure Ethanedioic acid H2ox HOOCCOOH Oxalsaeure ethane-1,2-dioic acid CHEBI:16995 oxalic acid oxalic acid The simplest member of the class of propane-1,2-diols, consisting of propane in which a hydrogen at position 1 and a hydrogen at position 2 are substituted by hydroxy groups. A colourless, viscous, hygroscopic, low-melting (-59degreeC) and high-boiling (188degreeC) liquid with low toxicity, it is used as a solvent, emulsifying agent, and antifreeze. propane-1,2-diol D-Ribitol in which the hydroxy group at position 5 is substituted by a 7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl moiety. It is a nutritional factor found in milk, eggs, malted barley, liver, kidney, heart, and leafy vegetables, but the richest natural source is yeast. The free form occurs only in the retina of the eye, in whey, and in urine; its principal forms in tissues and cells are as flavin mononucleotide and flavin-adenine dinucleotide. riboflavin vitamin b2 http://langual.org 0 C17H20N4O6 InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1 AUNGANRZJHBGPY-SCRDCRAPSA-N 376.369 376.13828 CC1=C(C)C=C2N(C[C@H](O)[C@H](O)[C@H](O)CO)C3=NC(=O)NC(=O)C3=NC2=C1 CHEBI:15044 CHEBI:27299 CHEBI:45214 CHEBI:529204 CHEBI:8843 Beilstein:97831 CAS:83-88-5 Chemspider:431981 Codex::101(i) DrugBank:DB00140 Drug_Central:2834 Europe::101 FooDB:FDB012160 HMDB:HMDB0000244 KEGG:C00255 KEGG:D00050 KNApSAcK:C00001552 LINCS:LSM-4084 MetaCyc:RIBOFLAVIN PDBeChem:RBF PMID:10566553 PMID:11399071 PMID:11606856 PMID:12083520 PMID:12354259 PMID:12927541 PMID:14963913 PMID:16273338 PMID:16460756 PMID:16658098 PMID:182198 PMID:18832377 PMID:19169240 PMID:19212411 PMID:19854891 PMID:22770225 PMID:2369885 PMID:23818044 PMID:24643482 PMID:24816110 PMID:25108762 PMID:25468971 PMID:25887755 PMID:2631092 PMID:29937405 PMID:3142982 PMID:33154451 PMID:33304888 PMID:33886098 PMID:33892358 PMID:34156642 PMID:3592624 PMID:3878498 PMID:4019261 PMID:6475825 PMID:6546833 PMID:6650303 PMID:7101408 PMID:7883462 PMID:8487103 PMID:8604671 PMID:8678471 PMID:8976642 PMID:9184778 PMID:9808225 PMID:9874201 Patent:US2807611 Patent:US2876169 Reaxys:97831 Wikipedia:Riboflavin http://www.langual.org/langual_thesaurus.asp?termid=B3233 http://www.langual.org/langual_thesaurus.asp?termid=B3756 1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-D-ribitol chebi_ontology 1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)pentitol 5-deoxy-5-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-D-ribitol 6,7-dimethyl-9-D-ribitylisoalloxazine 7,8-dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4(3H,10H)-dione 7,8-dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)isoalloxazine 7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4(3H,10H)-dione 7,8-dimethyl-10-ribitylisoalloxazine Aqua-Flave Beflavin Beflavine Bisulase Dermadram E101 Fiboflavin Flavaxin Flavin Bb Flaxain Hyflavin Vitamin B2 lactoflavin riboflavin riboflavin (vit B2) riboflavina riboflavine riboflavinum vitamin B2 vitamin G vitasan B2 riboflavin, synthetic CHEBI:17015 LanguaL curation note: See "food additive" comments. LanguaL term definition: Food additive; technological purpose(s): colour. riboflavin riboflavin A heteroglycan consisting of beta-(1->4)-linked D-glucose (G) and D-mannose (M) in a proportion of 5:8. The basic polymeric repeating unit has the pattern: GGMMGMMMMMGGM, with branching through beta-(1->3)- and beta-(1->6)-glucosyl linkages. Acetate groups are present on C-6 every 9-19 units of the main chain. CHEBI:11105 CHEBI:11106 CHEBI:18834 CHEBI:24263 CHEBI:283 CHEBI:5410 CAS:76081-94-2 KEGG:C01810 KEGG:C02101 KEGG:G11598 PMID:12356785 PMID:12569112 PMID:14983741 PMID:19108925 PMID:2840365 PMID:6096282 PMID:7872224 PMID:8365697 PMID:9742462 Reaxys:11315759 Reaxys:8188346 Glucomannan chebi_ontology (Glucomannan)n (Glucomannan)n+1 Glucomannoglycan CHEBI:17020 glucomannan glucomannan A nitrogen oxide consisting of linear unsymmetrical molecules with formula N2O. While it is the most used gaseous anaesthetic in the world, its major commercial use, due to its solubility under pressure in vegetable fats combined with its non-toxicity in low concentrations, is as an aerosol spray propellant and aerating agent for canisters of 'whipped' cream. nitrous oxide http://langual.org Codex::942 Europe::942 http://www.langual.org/langual_thesaurus.asp?termid=B3174 LanguaL curation note: See "food additive" comments. LanguaL term definition: Food additive; technological purpose(s): antioxidant, foaming agent, packaging gas, propellant. dinitrogen oxide -1 F InChI=1S/FH/h1H/p-1 KRHYYFGTRYWZRS-UHFFFAOYSA-M 18.99840 18.99895 [F-] CHEBI:14271 CHEBI:49593 CHEBI:5113 CAS:16984-48-8 Gmelin:14905 KEGG:C00742 PDBeChem:F Fluoride fluoride fluoride(1-) chebi_ontology F(-) F- FLUORIDE ION Fluoride ion Fluorine anion CHEBI:17051 fluoride fluoride A compound in which a carbonyl group is bonded to two carbon atoms: R2C=O (neither R may be H). ketone A benzenoid aromatic compound that consists of two benzene rings connected by a single covalent bond. Biphenyl occurs naturally in coal tar, crude oil, and natural gas. Formerly used as a fungicide for citrus crops. biphenyl, diphenyl http://langual.org Codex::230 Europe::230 http://www.langual.org/langual_thesaurus.asp?termid=B3016 diphenyl LanguaL curation note: See "food additive" comments. LanguaL term definition: Food additive; technological purpose(s): preservative. biphenyl The meso-diastereomer of butane-1,2,3,4-tetrol. erythritol http://langual.org Codex::968 Europe::968 http://www.langual.org/langual_thesaurus.asp?termid=B4390 LanguaL curation note: See "food additive" comments. LanguaL term definition: Food additive; technological purpose(s): flavour enhancer, humectant, Sweetener. erythritol A pentitol (five-carbon sugar alcohol) having meso-configuration, being derived from xylose by reduction of the carbonyl group. xylitol http://langual.org 0 C5H12O5 InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4+,5+ HEBKCHPVOIAQTA-SCDXWVJYSA-N 152.14580 152.06847 OC[C@H](O)[C@@H](O)[C@H](O)CO CHEBI:10078 CHEBI:15328 CHEBI:253147 CHEBI:27339 CHEBI:46522 CHEBI:60939 Beilstein:1720523 CAS:87-99-0 Codex::967 DrugBank:DB01904 Drug_Central:4604 Europe::967 Gmelin:82893 HMDB:HMDB0002917 KEGG:C00379 KEGG:D00061 MetaCyc:XYLITOL PDBeChem:XYL PMID:11154411 PMID:11163479 PMID:12061879 PMID:15377394 PMID:16708791 PMID:16901854 PMID:17216457 PMID:17216458 PMID:17336832 PMID:17979222 PMID:18316079 PMID:20030329 PMID:22735334 PMID:22791282 PMID:23247825 PMID:23287496 PMID:23338824 PMID:23589387 PMID:23597921 PMID:23615861 PMID:23796483 PMID:23916161 PMID:23957303 PMID:24012734 PMID:24643482 PMID:25108762 Reaxys:1720523 Wikipedia:Xylitol http://www.langual.org/langual_thesaurus.asp?termid=B3322 (2R,3r,4S)-pentane-1,2,3,4,5-pentol Xylitol meso-xylitol xylitol chebi_ontology (2R,3R,4S)-Pentane-1,2,3,4,5-pentaol D-XYLITOL L-xylitol Xylit xylite CHEBI:17151 LanguaL curation note: See "food additive" comments. LanguaL term definition: Food additive; technological purpose(s): emulsifier, humectant, stabilizer, sweetener, thickener. xylitol xylitol A pyridinecarboxamide that is pyridine in which the hydrogen at position 3 is replaced by a carboxamide group. nicotinamide http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=B3773 nicotinamide A tetrasaccharide consisting of sucrose having an alpha-D-galactosyl-(1->6)-alpha-D-galactosyl moiety attached at the 6-position of the glucose. 0 C24H42O21 InChI=1S/C24H42O21/c25-1-6-10(28)14(32)17(35)21(41-6)39-3-8-11(29)15(33)18(36)22(42-8)40-4-9-12(30)16(34)19(37)23(43-9)45-24(5-27)20(38)13(31)7(2-26)44-24/h6-23,25-38H,1-5H2/t6-,7-,8-,9-,10+,11+,12-,13-,14+,15+,16+,17-,18-,19-,20+,21+,22+,23-,24+/m1/s1 UQZIYBXSHAGNOE-XNSRJBNMSA-N 666.57770 666.22186 OC[C@H]1O[C@H](OC[C@H]2O[C@H](OC[C@H]3O[C@H](O[C@]4(CO)O[C@H](CO)[C@@H](O)[C@@H]4O)[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O CHEBI:15105 CHEBI:26749 CHEBI:9248 CAS:10094-58-3 CAS:470-55-3 HMDB:HMDB0003553 KEGG:C01613 KEGG:G00278 KNApSAcK:C00001150 PMID:10334866 PMID:10652123 PMID:11789231 PMID:1255266 PMID:12801075 PMID:16656948 PMID:16658766 PMID:16666190 PMID:16668659 PMID:18970754 PMID:21421343 PMID:7524207 PMID:8479952 PMID:8528153 PMID:9629861 Reaxys:1445746 Reaxys:1696669 Reaxys:74246 Wikipedia:Stachyose Stachyose beta-D-fructofuranosyl alpha-D-galactopyranosyl-(1->6)-alpha-D-galactopyranosyl-(1->6)-alpha-D-glucopyranoside stachyose chebi_ontology O-alpha-D-galactopyranosyl-(1->6)o-alpha-D-galactopyranosyl-(1->6)O-alpha-D-galactopyranosyl-beta-D-fructofuranoside alpha-D-Galp-(1->6)-alpha-D-Galp-(1->6)-alpha-D-Glcp-(1<->2)-beta-D-Fruf CHEBI:17164 stachyose stachyose nucleoside 5'-monophosphate A purine ribonucleoside 5'-monophosphate having hypoxanthine as the nucleobase. inosinic acid http://langual.org Codex::630 Europe::630 http://www.langual.org/langual_thesaurus.asp?termid=B3123 inosinic acid, 5’- LanguaL curation note: See "food additive" comments. LanguaL term definition: Food additive; technological purpose(s): flavour enhancer. IMP An aldohexose used as a source of energy and metabolic intermediate. 0 C6H12O6 180.15588 180.06339 CHEBI:14313 CHEBI:24277 CHEBI:33929 CHEBI:5418 CAS:50-99-7 KEGG:C00293 Wikipedia:Glucose Glucose gluco-hexose glucose chebi_ontology DL-glucose Glc Glukose CHEBI:17234 glucose glucose dehydroascorbic acid A member of the class of dihydrochalcones that is dihydrochalcone substituted by hydroxy groups at positions 4, 2', 4' and 6'. 0 C15H14O5 InChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2 VGEREEWJJVICBM-UHFFFAOYSA-N 274.26866 274.08412 Oc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1 CHEBI:14787 CHEBI:26014 CHEBI:42649 CHEBI:8111 CAS:60-82-2 DrugBank:DB07810 HMDB:HMDB0003306 KEGG:C00774 KNApSAcK:C00007936 LINCS:LSM-6221 LIPID_MAPS_instance:LMPK12120525 MetaCyc:PHLORETIN PDBeChem:G50 PMID:18767070 PMID:23907072 PMID:24487097 PMID:7126563 Patent:CN102701938 Patent:CN103230408 Reaxys:1887240 Wikipedia:Phloretin 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one Phloretin phloretin chebi_ontology 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-1-propanone CHEBI:17276 phloretin phloretin A glycosylglucose consisting of two D-glucopyranose units connected by an alpha-(1->4)-linkage. maltose http://langual.org 0 C12H22O11 InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11?,12-/m1/s1 GUBGYTABKSRVRQ-PICCSMPSSA-N 342.29648 342.11621 OC[C@H]1O[C@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O CHEBI:14568 CHEBI:25144 CHEBI:6668 Beilstein:1292747 CAS:69-79-4 DrugBank:DB03323 KEGG:C00208 KEGG:D00044 KEGG:G00275 KNApSAcK:C00001140 PMID:16332759 PMID:17723085 PMID:22094343 PMID:22185612 PMID:22246222 PMID:22252265 PMID:22411612 PMID:22424089 PMID:22451670 PMID:22469630 PMID:22529943 PMID:22573161 PMID:22669197 Reaxys:1292747 Wikipedia:Maltose http://www.langual.org/langual_thesaurus.asp?termid=C0206 Maltose alpha-D-glucopyranosyl-(1->4)-D-glucopyranose alpha-D-glucopyranosyl-(1->4)-D-glucose chebi_ontology 1-alpha-D-Glucopyranosyl-4-alpha-D-glucopyranose 4-(alpha-D-glucopyranosido)-alpha-glucopyranose 4-(alpha-D-glucosido)-D-glucose 4-O-alpha-D-glucopyranosyl-D-glucopyranose 4-O-alpha-D-glucopyranosyl-D-glucose Cextromaltose D-(+)-maltose D-maltose Malt sugar Malzzucker alpha-D-Glcp-(1->4)-D-Glcp alpha-D-Glucopyranosyl-(1->4)-D-glucopyranose alpha-malt sugar maltobiose CHEBI:17306 LanguaL curation note: Used when maltose or a high maltose sweetener is the major ingredient. maltose maltose Any mixture of complex, colloidal, macromolecular plant galacturonans containing a large proportion of D-galactopyranosyluronic acid residues in alpha-(1->4) linkage, the carboxy groups of which may be esterified to varying degrees by methyl groups or be partially or completely converted into salts. The structure shown is that of the parent polygalacturonan. pectin pectins http://langual.org 0 H2O(C6H8O6)n CHEBI:14741 CHEBI:26180 CHEBI:7946 CAS:9000-69-5 Codex::440 Europe::440 HMDB:HMDB0003402 KEGG:C00714 KEGG:D02316 KEGG:G10591 MetaCyc:PECTATE PMID:10093966 PMID:17930085 PMID:24751282 PMID:24798790 PMID:7446458 PMID:7960137 PMID:890983 Reaxys:8539058 Wikipedia:Pectin http://www.langual.org/langual_thesaurus.asp?termid=B3182 http://www.langual.org/langual_thesaurus.asp?termid=B4453 Pectin chebi_ontology Pektin Pektine Poly(1,4-alpha-D-galacturonide) pectic substance pectina pectinas pectine pectines pectins poly[(1->4)-alpha-D-GalpA] CHEBI:17309 LanguaL curation note: See "food additive" comments. LanguaL term definition: Food additive. LanguaL term definition: Food additive; technological purpose(s): emulsifier, gelling agent, stabilizer, thickener. pectin pectin A retinol in which all four exocyclic double bonds have E- (trans-) geometry. 0 C20H30O InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+ FPIPGXGPPPQFEQ-OVSJKPMPSA-N 286.459 286.22967 C\C(=C/CO)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C CHEBI:12783 CHEBI:22349 CHEBI:8816 Beilstein:403040 CAS:11103-57-4 CAS:68-26-8 Chemspider:393012 DrugBank:DB00162 Drug_Central:2831 Gmelin:247497 HMDB:HMDB0000305 KEGG:C00473 KEGG:C17276 KEGG:D00069 KEGG:D06543 KNApSAcK:C00031437 LIPID_MAPS_instance:LMPR01090001 MetaCyc:CPD-13524 PDBeChem:RTL PMID:10637381 PMID:12074187 PMID:12221269 PMID:12229281 PMID:12548314 PMID:12600856 PMID:1414975 PMID:15041701 PMID:15051608 PMID:15531678 PMID:15622799 PMID:15929633 PMID:16469975 PMID:16507353 PMID:16825693 PMID:17790232 PMID:19264891 PMID:20697621 PMID:2217163 PMID:22444309 PMID:2295828 PMID:25478840 PMID:30510477 PMID:31484771 PMID:7971717 PMID:8464067 PMID:8496140 PMID:9155646 PMID:9736606 Wikipedia:Retinol all-trans-Retinol all-trans-retinol chebi_ontology (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-ol (all-E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraen-1-ol Alphalin Aquasol A Chocola A Vitamin A1 all-trans retinol all-trans-retinyl alcohol all-trans-vitamin A all-trans-vitamin A alcohol retinol retinol (vit A) retinolum trans-retinol vitamin A vitamin A alcohol vitamin A1 vitamin A1 alcohol CHEBI:17336 all-trans-retinol all-trans-retinol An octadecadienoic acid in which the two double bonds are at positions 9 and 12 and have Z (cis) stereochemistry. 0 C18H32O2 InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9- OYHQOLUKZRVURQ-HZJYTTRNSA-N 280.44550 280.24023 CCCCC\C=C/C\C=C/CCCCCCCC(O)=O CHEBI:25047 CHEBI:42395 CHEBI:6479 Beilstein:1727101 CAS:60-33-3 Drug_Central:3323 Gmelin:57557 HMDB:HMDB0000673 KEGG:C01595 KNApSAcK:C00001224 LIPID_MAPS_instance:LMFA01030120 MetaCyc:LINOLEIC_ACID PDBeChem:EIC PMID:11113630 PMID:11304127 PMID:11322990 PMID:14667063 PMID:14993245 PMID:15115315 PMID:15642793 PMID:15969511 PMID:16254037 PMID:16563718 PMID:17647039 PMID:18044828 PMID:18990554 PMID:19628674 PMID:19936816 PMID:23900039 PMID:24081493 PMID:6205897 Reaxys:1727101 Wikipedia:Linoleic_acid (9Z,12Z)-octadeca-9,12-dienoic acid LINOLEIC ACID Linoleic acid chebi_ontology (9Z,12Z)-Octadecadienoic acid (Z,Z)-9,12-octadecadienoic acid 9-cis,12-cis-Octadecadienoic acid 9Z,12Z-octadecadienoic acid C18:2 9c, 12c omega6 todos cis-9,12-octadienoico C18:2, n-6,9 all-cis LA acide cis-linoleique acide linoleique acido linoleico all-cis-9,12-octadecadienoic acid cis,cis-9,12-octadecadienoic acid cis,cis-linoleic acid cis-Delta(9,12)-octadecadienoic acid linolic acid CHEBI:17351 linoleic acid linoleic acid A sulfur-containing amino acid obtained by the oxidation of two cysteine molecules which are then linked via a disulfide bond. cystine A myo-inositol hexakisphosphate in which each hydroxy group of myo-inositol is monophosphorylated. 0 C6H18O24P6 InChI=1S/C6H18O24P6/c7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15/h1-6H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2-,3-,4+,5-,6- IMQLKJBTEOYOSI-GPIVLXJGSA-N 660.03529 659.86137 OP(O)(=O)O[C@@H]1[C@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]1OP(O)(O)=O CHEBI:10603 CHEBI:11366 CHEBI:12829 CHEBI:12832 CHEBI:19200 Beilstein:2201952 CAS:83-86-3 Drug_Central:3465 KEGG:C01204 MetaCyc:HEXAKISPHOSPHATE PMID:11217149 PMID:11545369 PMID:12070948 PMID:12162428 PMID:12816787 PMID:12949395 PMID:15325752 PMID:15743020 PMID:15918884 PMID:15952339 PMID:15998131 PMID:16438310 PMID:17162330 PMID:18536177 PMID:19331859 PMID:21292245 PMID:22023391 PMID:6095072 Reaxys:2201952 Wikipedia:Phytic_acid myo-Inositol hexakisphosphate myo-inositol hexakis(dihydrogen phosphate) chebi_ontology 1D-myo-Inositol 1,2,3,4,5,6-hexakisphosphate 1D-myo-Inositol hexakisphosphate D-myo-Inositol 1,2,3,4,5,6-hexakisphosphate Inosithexaphosphorsaeure Phytate Phytic acid Phytine Saeure des phytins acide fytique acido fitico acidum fyticum myo-inositol 1,2,3,4,5,6-hexakisphosphate phytic acid CHEBI:17401 myo-inositol hexakisphosphate myo-inositol hexakisphosphate A complex cob(III)alamin in which cobalt is positioned in the centre of a planar corrin tetrapyrrole ring and bound axially to a 5,6-dimethylbenzimidazole moiety and a cyano group. It is one of several forms of the vitamin known as vitamin B12. cyanocobalamin http://langual.org 0 C63H88CoN14O14P InChI=1S/C62H90N13O14P.CN.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-2;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;/q;;+2/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1 RMRCNWBMXRMIRW-WZHZPDAFSA-L 1355.36520 1354.56740 [H][C@@]1(C)CNC(=O)CC[C@]2(C)[C@@H](CC(N)=O)[C@@]3([H])N4C2=C(C)C2=[N+]5C(=CC6=[N+]7C(=C(C)C8=[N+]([C@]3(C)[C@@](C)(CC(N)=O)[C@@H]8CCC(N)=O)[Co-3]457(C#N)[n+]3cn([C@H]4O[C@H](CO)[C@@H](OP([O-])(=O)O1)[C@H]4O)c1cc(C)c(C)cc31)[C@@](C)(CC(N)=O)[C@@H]6CCC(N)=O)C(C)(C)[C@@H]2CCC(N)=O CHEBI:14041 CHEBI:23435 CHEBI:3979 CHEBI:48820 CHEBI:60496 CAS:68-19-9 DrugBank:DB00115 Gmelin:249901 Gmelin:457955 KEGG:C02823 KEGG:D00166 KNApSAcK:C00001534 PDBeChem:CNC PMID:29286160 http://www.langual.org/langual_thesaurus.asp?termid=B3779 Coalpha-[alpha-(5,6-dimethylbenzimidazolyl)]-Cobeta-cyanocobamide Cyanocob(III)alamin cyanocob(III)alamin chebi_ontology CN-Cbl CO-CYANOCOBALAMIN Dicopac Vitamin B12 complex cyanocobalamin cyanocobalamin (b12) vitamin B-12 CHEBI:17439 cyanocob(III)alamin cyanocob(III)alamin A compound RC(=O)H, in which a carbonyl group is bonded to one hydrogen atom and to one R group. aldehyde A hydroxycoumarin that is umbelliferone bearing a methoxy substituent at position 6. 0 C10H8O4 InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3 RODXRVNMMDRFIK-UHFFFAOYSA-N 192.16810 192.04226 COc1cc2ccc(=O)oc2cc1O CHEBI:15067 CHEBI:210840 CHEBI:26611 CHEBI:9057 CAS:92-61-5 KEGG:C01752 KNApSAcK:C00002499 LINCS:LSM-6694 PMID:20686865 PMID:21078410 PMID:21163341 PMID:21383663 PMID:21417386 PMID:21544717 PMID:21598418 PMID:21604276 PMID:21605187 PMID:21657075 PMID:21751840 Reaxys:156296 7-hydroxy-6-methoxy-2H-chromen-2-one Scopoletin scopoletin chebi_ontology 6-Methoxy-7-hydroxycoumarin 6-Methylesculetin 6-O-Methylesculetin 7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one 7-hydroxy-6-methoxycoumarin CHEBI:17488 scopoletin scopoletin A carbohydrate that is an acyclic polyol having the general formula HOCH2[CH(OH)]nCH2OH (formally derivable from an aldose by reduction of the carbonyl group). alditol A linear copolymer macromolecule composed of homopolymeric blocks of 1->4-linked beta-D-mannuronic acid and alpha-L-guluronic acid residues, covalently linked together in different sequences or blocks. alginic acid http://langual.org Codex::400 Europe::400 http://www.langual.org/langual_thesaurus.asp?termid=B2984 LanguaL curation note: See "food additive" comments. LanguaL term definition: Food additive; technological purpose(s): bulking agent, carrier, emulsifier, foaming agent, gelling agent, glazing agent, humectant, sequestrant, stabilizer, thickener. alginic acid An optically active form of cysteine having L-configuration. l-cysteine http://langual.org Codex::920 Europe::920 http://www.langual.org/langual_thesaurus.asp?termid=B4426 cysteine, l- and its hydrochlorides - sodium and potassium salts LanguaL curation note: See "food additive" comments. LanguaL term definition: Food additive; technological purpose(s): flour treatment agent. L-cysteine A cyclic carotene obtained by dimerisation of all-trans-retinol. A strongly-coloured red-orange pigment abundant in plants and fruit and the most active and important provitamin A carotenoid. beta-carotene http://langual.org 0 C40H56 InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+ OENHQHLEOONYIE-JLTXGRSLSA-N 536.87264 536.43820 CC(\C=C\C=C(C)\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C CHEBI:10355 CHEBI:12392 CHEBI:22834 CHEBI:40987 Beilstein:1917416 CAS:7235-40-7 COMe:MOL000093 Codex::160a Drug_Central:345 Europe::160a HMDB:HMDB0000561 KEGG:C02094 KEGG:D03101 KNApSAcK:C00000919 LIPID_MAPS_instance:LMPR01070000 LIPID_MAPS_instance:LMPR01070001 MetaCyc:CPD1F-129 PDBeChem:BCR PMID:11171227 PMID:11182771 PMID:11332447 PMID:11359610 PMID:11382814 PMID:11567548 PMID:11677037 PMID:11714348 PMID:11962062 PMID:12081834 PMID:12891827 PMID:14658721 PMID:14764912 PMID:14976384 PMID:14997360 PMID:15113067 PMID:15333155 PMID:15695449 PMID:15789045 PMID:15909543 PMID:15949680 PMID:15949683 PMID:16036331 PMID:16087476 PMID:16338959 PMID:16563447 PMID:17004738 PMID:17625873 PMID:17708644 PMID:17851775 PMID:18429004 PMID:18766464 PMID:18767554 PMID:18794175 PMID:19480350 PMID:19574250 PMID:19669835 PMID:19703237 PMID:19852884 PMID:19888275 PMID:19896667 PMID:19937581 PMID:20074992 PMID:20515074 PMID:22079732 PMID:22309480 PMID:22428124 PMID:22489215 PMID:22534340 PMID:22575730 Reaxys:1917416 Wikipedia:Beta_Carotene http://www.langual.org/langual_thesaurus.asp?termid=B3015 BETA-CAROTENE beta,beta-carotene beta-Carotene beta-carotene chebi_ontology 1,1'-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaene-1,18-diyl]bis(2,6,6-trimethylcyclohexene) all-trans-beta-carotene beta-Karotin carotenes CHEBI:17579 LanguaL curation note: See "food additive" comments. LanguaL term definition: Food additive. beta-carotene β-carotene A glucooligosaccharide derived from glucose monomers linked via alpha-D-1,4 bonds as in maltose. The term is commonly applied to the series of linear oligosaccharides composed of two, three, four, five and six such units of glucose. maltooligosaccharide Any D-aldose having a chain of six carbon atoms in the molecule. D-aldohexose A ferulic acid consisting of trans-cinnamic acid bearing methoxy and hydroxy substituents at positions 3 and 4 respectively on the phenyl ring. 0 C10H10O4 InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+ KSEBMYQBYZTDHS-HWKANZROSA-N 194.18400 194.05791 COc1cc(\C=C\C(O)=O)ccc1O CHEBI:14260 CHEBI:24030 CHEBI:42445 CHEBI:5046 CAS:1135-24-6 CAS:537-98-4 HMDB:HMDB0000954 KEGG:C01494 KNApSAcK:C00002743 MetaCyc:FERULIC-ACID PDBeChem:FER PMID:11041377 PMID:11982438 PMID:12529986 PMID:15162367 PMID:15309442 PMID:16011737 PMID:16185284 PMID:18582080 PMID:18651237 PMID:18707110 PMID:18795822 PMID:19594750 PMID:8821508 Reaxys:1570363 Wikipedia:Ferulic_Acid (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid Ferulic acid chebi_ontology (E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid (E)-4'-hydroxy-3'-methoxycinnamic acid (E)-4-Hydroxy-3-methoxycinnamic acid (E)-Ferulic acid 3-(4-Hydroxy-3-methoxyphenyl)propenoic acid 3-methoxy-4-hydroxy-trans-cinnamic acid 4-Hydroxy-3-methoxycinnamic acid 4-hydroxy-3-methoxycinnamic acid trans-4-Hydroxy-3-methoxycinnamic acid trans-Ferulic acid CHEBI:17620 ferulic acid ferulic acid A flavin mononucleotide that is riboflavin (vitamin B2) in which the primary hydroxy group has been converted to its dihydrogen phosphate ester. riboflavin-5'-phosphate http://langual.org Codex::101(ii) Europe::101 http://www.langual.org/langual_thesaurus.asp?termid=B3234 riboflavin 5'-phosphate sodium LanguaL curation note: See "food additive" comments. LanguaL term definition: Food additive; technological purpose(s): colour. FMN A cyclic oligosaccharide comprising a ring of D-glucose units linked by alpha-(1->4) glycosidic bonds. cyclomaltodextrin A glucose with D-configuration. dextrose http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=C0222 glucose, d- LanguaL term definition: Used when dextrose or a high dextrose sweetener, such as corn syrup or corn syrup solids, is the major ingredient. D-glucose Any member of a group of vitamers that belong to the chemical structural class called butenolides that exhibit biological activity against vitamin C deficiency in animals. The vitamers include L-ascorbic acid and its salt, ionized and oxidized forms. CHEBI:21241 PMCID:PMC8088531 PMID:21885436 PMID:33916257 PMID:34064549 Wikipedia:Vitamin_C Vitamin C chebi_ontology vitamin C vitamer vitamin C vitamers vitamina C vitamine C vitaminum C CHEBI:176783 Langual document note: DIRECTIVE 2002/46/EC OF THE EUROPEAN PARLIAMENT AND OF THE COUNCIL of 10 June 2002 on the approximation of the laws of the Member States relating to food supplements [http://eur-lex.europa.eu/LexUriServ/LexUriServ.do?uri=OJ:L:2002:183:0051:0057:EN:PDF]. vitamin C vitamin C Any member of a group of vitamers that belong to the chemical structural class called flavins that exhibit biological activity against vitamin B2 deficiency. Symptoms associated with vitamin B2 deficiency include glossitis, seborrhea, angular stomaitis, cheilosis and photophobia. The vitamers include riboflavin and its phosphate derivatives (and includes their salt, ionised and hydrate forms). vitamin B2 chebi_ontology vitamin B-2 vitamins B2 vitamins B2 vitamer vitamins B2 vitamers CHEBI:176838 vitamin B2 vitamin B2 Any member of a group of vitamers that belong to the chemical structural class called pyridines that exhibit biological activity against vitamin B3 deficiency. Vitamin B3 deficiency causes a condition known as pellagra whose symptoms include depression, dermatitis and diarrhea. The vitamers include nicotinic acid and nicotinamide (and their ionized and salt forms). vitamin B3 chebi_ontology vitamin B-3 vitamin B3 vitamer vitamin B3 vitamers vitamins B3 CHEBI:176839 vitamin B3 vitamin B3 Any member of a group of vitamers that belong to the chemical structural class called pantothenic acids that exhibit biological activity against vitamin B5 deficiency. Deficiency of vitamin B5 is rare due to its widespread distribution in whole grain cereals, legumes and meat. Symptoms associated with vitamin B5 deficiency are difficult to asses since they are subtle and resemble those of other B vitamin deficiencies. The vitamers include (R)-pantothenic acid and its ionized and salt forms. vitamin B5 chebi_ontology vitamin B-5 vitamin B5 vitamer vitamin B5 vitamers vitamins B5 CHEBI:176840 vitamin B5 vitamin B5 Any member of a group of vitamers that belong to the chemical structural class called biotins that exhibit biological activity against vitamin B7 deficiency. Vitamin B7 deficiency is very rare in individuals who take a normal balanced diet. Foods rich in biotin are egg yolk, liver, cereals, vegetables (spinach, mushrooms) and rice. Symptoms associated with vitamin B7 deficiency include thinning hair, scaly skin rashes around eyes, nose and mouth, and brittle nails. The vitamers include biotin and its ionized and salt forms. vitamin B7 chebi_ontology vitamin B-7 vitamin B7 vitamer vitamin B7 vitamers vitamins B7 CHEBI:176841 vitamin B7 vitamin B7 Any B-vitamin that exhibits biological activity against vitamin B9 deficiency. Vitamin B9 refers to the many forms of folic acid and its derivatives, including tetrahydrofolic acid (the active form), methyltetrahydrofolate (the primary form found in blood), methenyltetrahydrofolate, folinic acid amongst others. They are present in abundance in green leafy vegetables, citrus fruits, and animal products. Lack of vitamin B9 leads to anemia, a condition in which the body cannot produce sufficient number of red blood cells. Symptoms of vitamin B9 deficiency include fatigue, muscle weakness, and pale skin. vitamin B9 chebi_ontology folate vitamer folate vitamers vitamin B-9 vitamin B9 vitamer vitamin B9 vitamers vitamins B9 CHEBI:176842 vitamin B9 vitamin B9 Any member of a group of cobalamin vitamers that exhibit biological activity against vitamin B12 deficiency. Vitamin B12 deficiency is associated with low red blood cell count and anemia. The vitamers are found in foods such as cereals, meat, fish, and poultry. The vitamers include adenosylcobalamin, hydroxocobalamin, cyanocobalamin, aquacobalamin, nitritocobalamin and methylcobabalamin (also includes their ionized, salt and phosphate derivatives). vitamin B12 chebi_ontology vitamin B-12 vitamin B12 vitamer vitamin B12 vitamers vitamins B12 CHEBI:176843 Langual documentation note: DIRECTIVE 2002/46/EC OF THE EUROPEAN PARLIAMENT AND OF THE COUNCIL of 10 June 2002 on the approximation of the laws of the Member States relating to food supplements [http://eur-lex.europa.eu/LexUriServ/LexUriServ.do?uri=OJ:L:2002:183:0051:0057:EN:PDF]. vitamin B12 vitamin B12 The (R,R,S)-stereoisomer of alpha-tocopherol. (R,R,S)-alpha-tocopherol The (R,S,R)-stereoisomer of alpha-tocopherol. (R,S,R)-alpha-tocopherol The (R,S,S)-stereoisomer of alpha-tocopherol. (R,S,S)-alpha-tocopherol The (S,R,R)-stereoisomer of alpha-tocopherol. (S,R,R)-alpha-tocopherol The (S,S,R)-stereoisomer of alpha-tocopherol. (S,S,R)-alpha-tocopherol The (S,R,S)-stereoisomer of alpha-tocopherol. (S,R,S)-alpha-tocopherol A glycosylglucose disaccharide, found most notably in milk, that consists of D-galactose and D-glucose fragments bonded through a beta-1->4 glycosidic linkage. The glucose fragment can be in either the alpha- or beta-pyranose form, whereas the galactose fragment can only have the beta-pyranose form. A glycosylglucose disaccharide, found most notably in milk, that consists of D-galactose and D-glucose fragments bonded through a beta-1->4 glycosidic linkage. The glucose fragment can be in either the alpha- or beta-pyranose form, whereas the galactose fragment can only have the beta-pyranose form. lactose http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=C0209 LanguaL term definition: Used when lactose or a high lactose sweetener is the major ingredient. lactose The amino acid betaine derived from glycine. 0 C5H11NO2 InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3 KWIUHFFTVRNATP-UHFFFAOYSA-N 117.14638 117.07898 C[N+](C)(C)CC([O-])=O CHEBI:13895 CHEBI:15264 CHEBI:22858 CHEBI:24370 CHEBI:27128 CHEBI:3073 Beilstein:3537113 CAS:107-43-7 Drug_Central:347 Gmelin:26434 HMDB:HMDB0000043 KEGG:C00719 KEGG:D07523 KNApSAcK:C00007291 MetaCyc:BETAINE PDBeChem:BET PMID:16197300 PMID:18326594 PMID:20346934 PMID:20446114 PMID:20642826 PMID:22770225 Reaxys:3537113 Wikipedia:Trimethylglycine YMDB:YMDB01516 (trimethylammonio)acetate Glycine betaine glycine betaine chebi_ontology (trimethylammoniumyl)acetate 1-carboxy-N,N,N-trimethylmethanaminium inner salt 2-N,N,N-trimethylammonio acetate Bet Betaine N,N,N-Trimethylglycine N,N,N-trimethylammonioacetate Trimethylaminoacetate Trimethylammonioacetate abromine acidol trimethylglycine trimethylglycocoll CHEBI:17750 glycine betaine glycine betaine A triol with a structure of propane substituted at positions 1, 2 and 3 by hydroxy groups. glycerol http://langual.org 0 C3H8O3 InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2 PEDCQBHIVMGVHV-UHFFFAOYSA-N 92.09382 92.04734 OCC(O)CO CHEBI:131422 CHEBI:14334 CHEBI:24351 CHEBI:42998 CHEBI:5448 Beilstein:635685 CAS:56-81-5 Codex::422 DrugBank:DB04077 Drug_Central:1316 ECMDB:ECMDB00131 Europe::422 Gmelin:26279 HMDB:HMDB0000131 KEGG:C00116 KEGG:D00028 KNApSAcK:C00001163 LINCS:LSM-37180 MetaCyc:GLYCEROL PDB:2AJS PDB:2D03 PDBeChem:GOL PMID:11958517 PMID:12672239 PMID:12689633 PMID:14559393 PMID:14563847 PMID:15342117 PMID:15786693 PMID:16244855 PMID:16258193 PMID:16319039 PMID:16349488 PMID:16651733 PMID:16664750 PMID:16901854 PMID:17336832 PMID:17439666 PMID:17979222 PMID:19184438 PMID:19231894 PMID:19460032 PMID:19548674 PMID:19795216 PMID:19956799 PMID:22705534 PMID:23562176 PMID:23747440 PMID:24643482 PMID:25108762 PMID:7031247 PMID:7392035 PPDB:1317 Reaxys:635685 UM-BBD_compID:c0066 Wikipedia:Glycerol YMDB:YMDB00283 http://www.langual.org/langual_thesaurus.asp?termid=B3107 GLYCEROL Glycerol glycerol propane-1,2,3-triol chebi_ontology 1,2,3-Propanetriol 1,2,3-Trihydroxypropane Glycerin Glyceritol Glyzerin Gro Oelsuess Propanetriol Trihydroxypropane glycerine glycerol glycerolum glycyl alcohol CHEBI:17754 LanguaL curation note: See "food additive" comments. LanguaL term definition: Food additive; technological purpose(s): bodying agent, humectant. glycerol glycerol A compound containing at least one carbon-halogen bond (where X is a halogen atom). organohalogen compound An alpha-amino acid that is alanine substituted at position 3 by a hydroxy group. 0 C3H7NO3 InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7) MTCFGRXMJLQNBG-UHFFFAOYSA-N 105.09262 105.04259 NC(CO)C(O)=O CHEBI:15081 CHEBI:26648 CHEBI:9116 Beilstein:1721402 CAS:302-84-1 Gmelin:26429 KEGG:C00716 KNApSAcK:C00001393 Reaxys:1721402 Wikipedia:Serine Serine serine chebi_ontology 2-Amino-3-hydroxypropionic acid 2-amino-3-hydroxypropanoic acid 3-Hydroxyalanine Serin CHEBI:17822 serine serine Any glyceride resulting from the condensation of all three hydroxy groups of glycerol (propane-1,2,3-triol) with fatty acids. 0 C6H5O6R3 173.10030 173.00861 [*]C(=O)OCC(COC([*])=O)OC([*])=O CHEBI:15255 CHEBI:27085 CHEBI:9664 KEGG:C00422 LIPID_MAPS_class:LMGL0301 PMID:2474544 Triglyceride triglycerides chebi_ontology Triacylglycerol Triglycerid Triglyzerid a triacylglycerol triacylglycerols triglycerides CHEBI:17855 triglyceride triglyceride A mononuclear parent hydride consisting of covalently bonded hydrogen and chlorine atoms. hydrochloric acid http://langual.org Codex::507 Europe::507 http://www.langual.org/langual_thesaurus.asp?termid=B3117 LanguaL curation note: See "food additive" comments. LanguaL term definition: Food additive; technological purpose(s): acidity regulator. hydrogen chloride A hydroxycalciol that is calciol in which the hydrogen at position 25 has been replaced by a hydroxy group. A prehormone resulting from the oxidation of calciol in the liver, it is further hydroxylated in the kidney to give calcitriol, the active form of vitamin D3. 0 C27H44O2 InChI=1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3/b21-11+,22-12-/t20-,23+,24-,25+,27-/m1/s1 JWUBBDSIWDLEOM-DTOXIADCSA-N 400.63706 400.33413 [H][C@@]1(CC[C@]2([H])[C@]1(C)CCC\C2=C/C=C1/C[C@@H](O)CCC1=C)[C@H](C)CCCC(C)(C)O CHEBI:13931 CHEBI:19815 CHEBI:3304 CHEBI:46387 Beilstein:4270041 CAS:19356-17-3 DrugBank:DB00146 Drug_Central:464 KEGG:C01561 LIPID_MAPS_instance:LMST03020246 PDBeChem:VDY PMID:16549446 PMID:18689406 PMID:22487892 PMID:22536761 PMID:23090338 PMID:23566108 PMID:9080330 Reaxys:4270041 Wikipedia:Calcifediol (3S,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-3,25-diol Calcidiol calcidiol chebi_ontology (3S,5Z,7E)-9,10-secocholesta-5,7,10-triene-3,25-diol (3beta,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-3,25-diol (5Z,7E)-(3S)-9,10-secocholesta-5,7,10(19)-triene-3,25-diol 25(OH)D3 25-Hydroxyvitamin D3 25-hydroxycholecalciferol 25-hydroxyvitamin D3 3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANOL Calcifediol Calcifediol anhydrous Rayaldee calcifediol calcifediolum CHEBI:17933 calcidiol calcidiol An aromatic alcohol that consists of benzene bearing a single hydroxymethyl substituent. benzyl alcohol http://langual.org Codex::1519 Europe::1519 http://www.langual.org/langual_thesaurus.asp?termid=B4407 LanguaL curation note: See "food additive" comments. LanguaL term definition: Food additive; technological purpose(s): carrier. benzyl alcohol A glycosyl glycoside formed by glucose and fructose units joined by an acetal oxygen bridge from hemiacetal of glucose to the hemiketal of the fructose. 0 C12H22O11 InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1 CZMRCDWAGMRECN-UGDNZRGBSA-N 342.29650 342.11621 OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O CHEBI:15128 CHEBI:26812 CHEBI:45795 CHEBI:9314 Beilstein:90825 CAS:57-50-1 DrugBank:DB02772 Drug_Central:4610 Gmelin:97695 HMDB:HMDB0000258 KEGG:C00089 KEGG:D00025 KEGG:D06533 KEGG:G00370 KNApSAcK:C00001151 MetaCyc:SUCROSE PDBeChem:SUC PMID:11021636 PMID:11093712 PMID:11111003 PMID:12065720 PMID:12706980 PMID:13508893 PMID:15291457 PMID:15660210 PMID:15792978 PMID:15845855 PMID:16228482 PMID:16304615 PMID:16313996 PMID:16525719 PMID:16660545 PMID:16663947 PMID:16665852 PMID:17233733 PMID:17439666 PMID:17597061 PMID:18625236 PMID:19199566 PMID:19726178 PMID:21703290 PMID:21972845 PMID:22085755 PMID:22311778 PMID:22404833 PMID:22751876 Reaxys:1435311 Reaxys:90825 SUBSET_SIREN:F15176 Wikipedia:Sucrose http://www.langual.org/langual_thesaurus.asp?termid=C0210 http://www.langual.org/langual_thesaurus.asp?termid=H0136 http://www.langual.org/langual_thesaurus.asp?termid=H0158 SUCROSE Sucrose beta-D-fructofuranosyl alpha-D-glucopyranoside sucrose chebi_ontology 1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside Cane sugar Saccharose Sacharose White sugar beta-D-Fruf-(2<->1)-alpha-D-Glcp sacarosa table sugar CHEBI:17992 subset_siren LanguaL term definition: Used when sucrose (e.g., cane sugar or beet sugar) is the major ingredient. Note: on a product label or in a recipe, 'sugar' means sucrose. sucrose sucrose A halide anion formed when chlorine picks up an electron to form an an anion. -1 Cl InChI=1S/ClH/h1H/p-1 VEXZGXHMUGYJMC-UHFFFAOYSA-M 35.45270 34.96940 [Cl-] CHEBI:13291 CHEBI:13970 CHEBI:3616 CHEBI:3731 CHEBI:48804 Beilstein:3587171 CAS:16887-00-6 Gmelin:14910 KEGG:C00115 KEGG:C00698 PDBeChem:CL UM-BBD_compID:c0884 Chloride chloride chloride(1-) chebi_ontology CHLORIDE ION Chloride ion Chloride(1-) Chlorine anion Cl(-) Cl- CHEBI:17996 chloride chloride A butenedioic acid in which the C=C double bond has E geometry. It is an intermediate metabolite in the citric acid cycle. fumaric acid http://langual.org Codex::297 Europe::297 http://www.langual.org/langual_thesaurus.asp?termid=B3101 LanguaL curation note: See "food additive" comments. LanguaL term definition: Food additive; technological purpose(s): acidity regulator. fumaric acid A glyceride that is glycerol in which any two of the hydroxy groups have been acylated. In the structure shown, two of the R groups (positions not specified) are acyl groups while the remaining R group can be either H or an alkyl group. 0 C5H6O5R2 89.07000 89.02387 [*]OCC(CO[*])O[*] CHEBI:14135 CHEBI:23653 CHEBI:4481 KEGG:C00165 LIPID_MAPS_class:LMGL0201 Diglyceride diglycerides chebi_ontology Diacylglycerol a diacylglycerol di-O-acylglycerols diacylglycerols diglycerides CHEBI:18035 diglyceride diglyceride 'Lipids' is a loosely defined term for substances of biological origin that are soluble in nonpolar solvents. They consist of saponifiable lipids, such as glycerides (fats and oils) and phospholipids, as well as nonsaponifiable lipids, principally steroids. CHEBI:14517 CHEBI:25054 CHEBI:6486 KEGG:C01356 Lipid lipids chebi_ontology CHEBI:18059 lipid lipid A member of the class of phylloquinones that consists of 1,4-naphthoquinone having methyl and phytyl groups at positions 2 and 3 respectively. The parent of the class of phylloquinones. phylloquinone http://langual.org 0 C31H46O2 InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+/t23-,24-/m1/s1 MBWXNTAXLNYFJB-NKFFZRIASA-N 450.707 450.34978 CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\C(C)=C\CC1=C(C)C(=O)C2=C(C=CC=C2)C1=O CHEBI:11611 CHEBI:14833 CHEBI:26105 CHEBI:45148 CHEBI:8181 CAS:84-80-0 Chemspider:4447652 DrugBank:DB01022 Drug_Central:2843 HMDB:HMDB0003555 KEGG:C02059 KEGG:D00148 KNApSAcK:C00002868 LIPID_MAPS_instance:LMPR02030028 MetaCyc:2-METHYL-3-PHYTYL-14-NAPHTHOQUINONE PDBeChem:PQN PMCID:PMC6577341 PMCID:PMC8180628 PMID:1009028 PMID:10701947 PMID:10893417 PMID:11003724 PMID:15686525 PMID:15773196 PMID:19588895 PMID:19996170 PMID:21169510 PMID:21645693 PMID:21844348 PMID:21914559 PMID:27337968 PMID:2851012 PMID:30609653 PMID:32090699 PMID:32109957 PMID:32221088 PMID:32222983 PMID:32445363 PMID:33793953 PMID:33968245 PMID:34134516 PMID:5511811 PMID:7657478 Reaxys:2568816 Wikipedia:Phytomenadione http://www.langual.org/langual_thesaurus.asp?termid=B3788 2-methyl-3-[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]naphthalene-1,4-dione PHYLLOQUINONE Phylloquinone phylloquinone chebi_ontology 2-Methyl-3-(3,7,11,15-tetramethyl-2-hexadecenyl)-1,4-naphthalenedione 2-Methyl-3-[(2E)-3,7,11,15-tetramethyl-2-hexadecenyl]naphthoquinone 2-Methyl-3-phytyl-1,4-naphthochinon 2-methyl-3-phytyl-1,4-naphthoquinone 3-phytylmenadione Mephyton Phyllochinon Phyllochinonum Phytonadionum Phytylmenadione Vitamin K1 alpha-phylloquinone fitomenadiona fitomenadione phytomenadione phytomenadionum phytonadione trans-Phylloquinone vitamin K1 vitamin K1(20) phytomenadione vitamin K1 CHEBI:18067 phylloquinone phylloquinone Any six-carbon monosaccharide which in its linear form contains either an aldehyde group at position 1 (aldohexose) or a ketone group at position 2 (ketohexose). hexose A benzenediol comprising of a benzene core carrying two hydroxy substituents ortho to each other. 0 C6H6O2 InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H YCIMNLLNPGFGHC-UHFFFAOYSA-N 110.11064 110.03678 Oc1ccccc1O CHEBI:135158 CHEBI:13950 CHEBI:23054 CHEBI:3467 CHEBI:41441 Beilstein:471401 CAS:120-80-9 CAS:12385-08-9 DrugBank:DB02232 Gmelin:2936 HMDB:HMDB0000957 KEGG:C00090 KEGG:C01785 KEGG:C15571 KNApSAcK:C00002644 MetaCyc:CATECHOL PDBeChem:CAQ PMID:10651166 PMID:11470755 PMID:15951152 PMID:16610220 Reaxys:471401 UM-BBD_compID:c0097 Wikipedia:Catechol Catechol benzene-1,2-diol catechol chebi_ontology 1,2-Benzenediol 1,2-Dihydroxybenzene 2-hydroxyphenol Brenzcatechin Pyrocatechol alpha-hydroxyphenol o-Benzenediol o-hydroxyphenol pyrocatechin CHEBI:18135 catechol catechol hydrogen halide An alpha-tocopherol that has R,R,R configuration. The naturally occurring stereoisomer of alpha-tocopherol, it is found particularly in sunflower and olive oils. (R,R,R)-alpha-tocopherol A biomacromolecule consisting of large numbers of monosaccharide residues linked glycosidically. This term is commonly used only for those containing more than ten monosaccharide residues. polysaccharide http://langual.org CHEBI:14864 CHEBI:26205 CHEBI:8322 KEGG:C00420 http://www.langual.org/langual_thesaurus.asp?termid=C0153 Polysaccharide polysaccharides chebi_ontology Glycan Glycane Glykan Glykane glycans polisacarido polisacaridos CHEBI:18154 LanguaL term definition: Complex carbohydrate with molecules composed of eleven or more saccharide units. Usually not sweet to the taste. Includes starch, pectin and cellulose. polysaccharide polysaccharide A monohydroxycinnamic acid in which the hydroxy substituent is located at C-2 of the phenyl ring. 0 C9H8O3 InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12) PMOWTIHVNWZYFI-UHFFFAOYSA-N 164.15802 164.04734 [H]C(=Cc1ccccc1O)C(O)=O CHEBI:1151 CHEBI:19517 CHEBI:19633 AGR:IND43878326 AGR:IND44077244 Beilstein:2207352 CAS:583-17-5 KEGG:C03549 PMID:24248866 PMID:24868863 Reaxys:2207352 3-(2-hydroxyphenyl)prop-2-enoic acid chebi_ontology 2-Hydroxycinnamate 2-hydroxycinnamic acid 3-(2-hydroxyphenyl)acrylic acid o-coumaric acid CHEBI:18176 2-coumaric acid 2-coumaric acid A tocopherol in which the chroman-6-ol core is substituted by methyl groups at positions 7 and 8. It is found particularly in maize (corn) oil and soya bean (soybean) oils. gamma-tocopherol http://langual.org 0 C28H48O2 InChI=1S/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-19-26(29)23(5)24(6)27(25)30-28/h19-22,29H,8-18H2,1-7H3/t21-,22-,28-/m1/s1 QUEDXNHFTDJVIY-DQCZWYHMSA-N 416.67952 416.36543 CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCc2cc(O)c(C)c(C)c2O1 CHEBI:10579 CHEBI:12406 CHEBI:24199 AGR:IND605428769 AGR:IND607289207 Beilstein:93072 CAS:54-28-4 Chemspider:83708 Codex::308 DrugBank:DB15394 Europe::308 FooDB:FDB002431 HMDB:HMDB0001492 KEGG:C02483 KNApSAcK:C00007365 LIPID_MAPS_instance:LMPR02020065 MetaCyc:GAMA-TOCOPHEROL PMID:10875465 PMID:1146729 PMID:11811542 PMID:14871472 PMID:14988604 PMID:15189696 PMID:15190048 PMID:15213374 PMID:15256801 PMID:15493460 PMID:15753151 PMID:15932790 PMID:16115338 PMID:16336861 PMID:16384840 PMID:16400056 PMID:16481153 PMID:16875031 PMID:17823432 PMID:18582912 PMID:19838939 PMID:22411374 PMID:22513202 PMID:22607470 PMID:22888664 PMID:23429409 PMID:2388136 PMID:23993952 PMID:25501796 PMID:25916693 PMID:28211759 PMID:28506847 PMID:28629117 PMID:30361021 PMID:31136626 PMID:31583056 PMID:31957471 PMID:32065446 PMID:32197490 PMID:32488024 PMID:33352218 PMID:33549947 PMID:6618108 PMID:6875389 PMID:6959572 PMID:8514270 PMID:9537614 PMID:9808643 Reaxys:93072 Wikipedia:Gamma-Tocopherol http://www.langual.org/langual_thesaurus.asp?termid=B3102 (2R)-2,7,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-6-ol gamma-Tocopherol gamma-tocopherol gamma-tocopherol chebi_ontology (+)-gamma-tocopherol (2R)-2,7,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-1-benzopyran-6-ol (2R)-3,4-dihydro-2,7,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-2H-1-benzopyran-6-ol (2R,4'R,8'R)-gamma-tocopherol (R,R,R)-gamma-tocopherol 7,8-dimethyltocol D-gamma-tocopherol E308 RRR-gamma-tocopherol tocopherol, gamma-, synthetic CHEBI:18185 LanguaL curation note: See "food additive" comments. LanguaL term definition: Food additive; technological purpose(s): antioxidant. gamma-tocopherol γ-tocopherol An alpha-amino acid that is phenylalanine bearing a hydroxy substituent at position 4 on the phenyl ring. 0 C9H11NO3 InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13) OUYCCCASQSFEME-UHFFFAOYSA-N 181.18858 181.07389 NC(Cc1ccc(O)cc1)C(O)=O CHEBI:15277 CHEBI:27176 CHEBI:9800 Beilstein:515881 CAS:55520-40-6 CAS:556-03-6 Gmelin:27744 KEGG:C01536 KNApSAcK:C00001397 PMID:17190852 Reaxys:515881 Tyrosine tyrosine chebi_ontology 2-Amino-3-(p-hydroxyphenyl)propionic acid 2-amino-3-(4-hydroxyphenyl)propanoic acid 3-(p-Hydroxyphenyl)alanine Tyr Tyrosin Y tirosina CHEBI:18186 tyrosine tyrosine A solution of ammonia in water. ammonium hydroxide http://langual.org Codex::527 Europe::527 http://www.langual.org/langual_thesaurus.asp?termid=B2999 LanguaL curation note: See "food additive" comments. LanguaL term definition: Food additive; technological purpose(s): acidity regulator. ammonium hydroxide An aldopentose, found in the embryos of most edible plants and used in medicine to test for malabsorption by administration in water to the patient. 0 C5H10O5 150.130 150.05282 CHEBI:10085 CHEBI:15332 CHEBI:27348 CHEBI:33944 CHEBI:46500 KEGG:C01394 Wikipedia:Xylose Xylose xylo-pentose xylose chebi_ontology DL-xylose Xyl CHEBI:18222 xylose xylose A glucan that consists of a backbone of alpha-(1->4)-linked glucose residues, most of which are substituted with (1->6)-linked xylose side-chains. CHEBI:10081 CHEBI:15330 CHEBI:27344 KEGG:C00807 Wikipedia:Xyloglucan Xyloglucan chebi_ontology CHEBI:18233 xyloglucan xyloglucan An alpha-amino acid that is glutaric acid bearing a single amino substituent at position 2. glutamic acid http://langual.org 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) WHUUTDBJXJRKMK-UHFFFAOYSA-N 147.12930 147.05316 NC(CCC(O)=O)C(O)=O CHEBI:24314 CHEBI:5431 Beilstein:1723799 CAS:617-65-2 Codex::620 Europe::620 Gmelin:101971 KEGG:C00302 KEGG:D04341 KNApSAcK:C00001358 KNApSAcK:C00019577 PMID:15739367 PMID:17190852 PMID:24616376 PMID:24984001 Reaxys:1723799 Wikipedia:Glutamic_acid http://www.langual.org/langual_thesaurus.asp?termid=B3106 2-aminopentanedioic acid Glutamic acid glutamic acid chebi_ontology 2-Aminoglutaric acid DL-Glutamic acid DL-Glutaminic acid E Glu Glutamate Glutaminic acid Glutaminsaeure glutamic acid, l(+)- CHEBI:18237 LanguaL curation note: See "food additive" comments. LanguaL term definition: Food additive; technological purpose(s): flavour enhancer. glutamic acid glutamic acid A beta-D-glucan in which the glucose units are connected by (1->4) linkages. (1->4)-beta-D-glucan An iron group element atom that has atomic number 26. 0 Fe InChI=1S/Fe XEEYBQQBJWHFJM-UHFFFAOYSA-N 55.84500 55.93494 [Fe] CHEBI:13322 CHEBI:24872 CHEBI:5974 CAS:7439-89-6 DrugBank:DB01592 HMDB:HMDB0015531 KEGG:C00023 Reaxys:4122945 WebElements:Fe iron chebi_ontology 26Fe Eisen Fe Iron fer ferrum hierro iron CHEBI:18248 iron atom iron atom 0 Mn InChI=1S/Mn PWHULOQIROXLJO-UHFFFAOYSA-N 54.93805 54.93804 [Mn] CHEBI:13382 CHEBI:25153 CHEBI:6681 CAS:7439-96-5 KEGG:C00034 WebElements:Mn manganese chebi_ontology 25Mn Mangan Manganese Mn manganese manganeso manganum CHEBI:18291 manganese atom manganese atom A class of aminophospholipids in which a phosphatidyl group is esterified to the hydroxy group of serine. 0 C8H12NO10P 313.156 313.01988 C(C(COP(=O)(OC[C@@H](C(=O)O)N)O)OC(=O)*)OC(=O)* CHEBI:14801 CHEBI:26041 CHEBI:8137 DrugBank:DB00144 HMDB:HMDB0014291 KEGG:C02737 MetaCyc:L-1-PHOSPHATIDYL-SERINE PMID:10540156 PMID:15533308 PMID:19687511 PMID:23543734 PMID:3106116 PMID:3196084 PMID:4153523 PMID:8204602 PMID:8626656 PMID:9677350 Patent:EP2322184 Patent:HK1046237 Patent:US2011098249 Wikipedia:Phosphatidylserine chebi_ontology PS Phosphatidylserine Ptd-L-Ser phosphatidyl-L-serines CHEBI:18303 phosphatidyl-L-serine phosphatidyl-L-serine A monosaccharide derivative that is hydroquinone attached to a beta-D-glucopyranosyl residue at position 4 via a glycosidic linkage. 0 C12H16O7 InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12-/m1/s1 BJRNKVDFDLYUGJ-RMPHRYRLSA-N 272.25120 272.08960 OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O CHEBI:14417 CHEBI:2806 Beilstein:89673 CAS:497-76-7 Drug_Central:4267 HMDB:HMDB0029943 KEGG:C06186 KNApSAcK:C00002638 LINCS:LSM-5255 MetaCyc:HYDROQUINONE-O-BETA-D-GLUCOPYRANOSIDE PMID:15287073 PMID:9518563 Reaxys:89673 Wikipedia:Arbutin 4-hydroxyphenyl beta-D-glucopyranoside hydroquinone O-beta-D-glucopyranoside chebi_ontology Arbutin Hydroquinone-O-beta-D-glucopyranoside Ursin Uvasol arbutin p-hydroxyphenyl beta-D-glucopyranoside p-hydroxyphenyl beta-D-glucoside CHEBI:18305 hydroquinone O-beta-D-glucopyranoside hydroquinone O-β-D-glucopyranoside An acyclic branched or unbranched hydrocarbon having the general formula CnH2n+2, and therefore consisting entirely of hydrogen atoms and saturated carbon atoms. alkane A C-glycosyl compound that consists of apigenin substituted by a 1,5-anhydro-D-glucitol moiety at position 6. 0 C21H20O10 InChI=1S/C21H20O10/c22-7-14-17(26)19(28)20(29)21(31-14)16-11(25)6-13-15(18(16)27)10(24)5-12(30-13)8-1-3-9(23)4-2-8/h1-6,14,17,19-23,25-29H,7H2/t14-,17-,19+,20-,21+/m1/s1 MYXNWGACZJSMBT-VJXVFPJBSA-N 432.37750 432.10565 OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(O)cc1 CHEBI:14482 CHEBI:22806 CHEBI:2771 Beilstein:66651 CAS:29702-25-8 CAS:38953-85-4 KEGG:C01714 KNApSAcK:C00001059 LIPID_MAPS_instance:LMPK12110338 MetaCyc:ISOVITEXIN PMID:16142640 PMID:22475010 PMID:22683902 PMID:23057589 Reaxys:66651 Wikipedia:Isovitexin (1S)-1,5-anhydro-1-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]-D-glucitol Isovitexin chebi_ontology 6-C-Glucosylapigenin 6-Glucosylapigenin Apigenin 6-C-glucoside Apigenin-6-C-glucoside Saponaretin beta-D-isovitexin CHEBI:18330 isovitexin isovitexin A member of the class of benzaldehydes carrying methoxy and hydroxy substituents at positions 3 and 4 respectively. vanillin A trihydroxyflavone that is flavone substituted by hydroxy groups at positions 4', 5 and 7. It induces autophagy in leukaemia cells. 0 C15H10O5 InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H KZNIFHPLKGYRTM-UHFFFAOYSA-N 270.23690 270.05282 Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1 CHEBI:12084 CHEBI:22588 CHEBI:2768 Beilstein:262620 CAS:520-36-5 HMDB:HMDB0002124 KEGG:C01477 KNApSAcK:C00003817 LINCS:LSM-5206 LIPID_MAPS_instance:LMPK12110005 MetaCyc:CPD-431 PDBeChem:AGI PMID:23304222 PMID:23344191 PMID:23354402 PMID:23359392 PMID:28166217 Reaxys:262620 Wikipedia:Apigenin 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one Apigenin chebi_ontology 2-(p-hydroxyphenyl)-5,7-dihydroxychromone 4',5,7-Trihydroxyflavone 5,7,4'-Trihydroxyflavone 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-benzopyrone 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C.I. Natural Yellow 1 chamomile spigenin versulin CHEBI:18388 apigenin apigenin sulphur dioxide http://langual.org Codex::220 Europe::220 http://www.langual.org/langual_thesaurus.asp?termid=B3295 sulfur dioxide LanguaL curation note: See "food additive" comments. LanguaL term definition: Food additive; technological purpose(s): antioxidant, preservative. sulfur dioxide A pentahydroxyflavone that is luteolin with an additional hydroxy group at position 6. 0 C15H10O7 InChI=1S/C15H10O7/c16-7-2-1-6(3-8(7)17)11-4-9(18)13-12(22-11)5-10(19)14(20)15(13)21/h1-5,16-17,19-21H VYAKIUWQLHRZGK-UHFFFAOYSA-N 302.23570 302.04265 Oc1ccc(cc1O)-c1cc(=O)c2c(O)c(O)c(O)cc2o1 CAS:18003-33-3 KEGG:C10072 KNApSAcK:C00003884 LIPID_MAPS_instance:LMPK12111229 PMID:10048707 PMID:12693635 PMID:19666078 PMID:21236437 Reaxys:308129 2-(3,4-dihydroxyphenyl)-5,6,7-trihydroxy-4H-chromen-4-one 6-Hydroxyluteolin chebi_ontology 2-(3,4-dihydroxyphenyl)-5,6,7-trihydroxy-4H-1-benzopyran-4-one 3',4',5,6,7-Pentahydroxyflavone 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,6,7-trihydroxy- 5,6,7,3',4'-Pentahydroxyflavone CHEBI:2197 6-hydroxyluteolin 6-hydroxyluteolin Compounds with the general formula RNHC(=O)CH3. acetamides Dicarboxylic acids formed from aldoses by replacement of both terminal groups (CHO and CH2OH) by carboxy groups. aldaric acid Any carbohydrate acid formed by oxidising the aldehyde functional group of an aldose to a carboxylic acid functional group. Aldonic acids have the general formula HOCH2[CH(OH)]nC(=O)OH. aldonic acid alkaline earth metal atom alkali metal atom Any of the naturally occurring, basic nitrogen compounds (mostly heterocyclic) occurring mostly in the plant kingdom, but also found in bacteria, fungi, and animals. By extension, certain neutral compounds biogenetically related to basic alkaloids are also classed as alkaloids. Amino acids, peptides, proteins, nucleotides, nucleic acids, amino sugars and antibiotics are not normally regarded as alkaloids. Compounds in which the nitrogen is exocyclic (dopamine, mescaline, serotonin, etc.) are usually classed as amines rather than alkaloids. Wikipedia:Alkaloid Alkaloid alkaloids chebi_ontology Alkaloide alcaloide alcaloides CHEBI:22315 alkaloid alkaloid alpha-D-glucoside A tocopherol that is chroman-6-ol substituted by methyl groups at positions 2, 5, 7 and 8 and a 4,8,12-trimethyltridecyl group at position 2. alpha-tocopherol http://langual.org 0 C29H50O2 430.707 430.38108 Beilstein:8176170 CAS:10191-41-0 Codex::307 Europe::307 KEGG:D02332 PMID:23949732 PMID:24683365 Wikipedia:Alpha-Tocopherol http://www.langual.org/langual_thesaurus.asp?termid=B2986 alpha-tocopherol rel-(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-6-ol chebi_ontology (+-)-alpha-tocopherol 2,5,7,8-tetramethyl-2-(4',8',12'-trimethyltridecyl)-6-chromanol E 307 E-307 E307 all-rac-alpha-tocopherol dl-alpha-tocopherol dl-alpha-tocopherol tocopherols CHEBI:22470 LanguaL curation note: See "food additive" comments. LanguaL term definition: Food additive. alpha-tocopherol α-tocopherol A monoatomic or polyatomic species having one or more elementary charges of the electron. anion chebi_ontology anthracenequinones anthraquinones CHEBI:22580 anthraquinone anthraquinone A polysaccharide composed of arabinose residues. KEGG:C02474 KEGG:G10584 chebi_ontology alpha-L-Araban alpha-L-Arabinan arabinans CHEBI:22590 arabinan arabinan 0 C5H10O5 150.12990 150.05282 CHEBI:33943 CAS:147-81-9 HMDB:HMDB0029942 Wikipedia:Arabinose arabino-pentose arabinose chebi_ontology Ara CHEBI:22599 arabinose arabinose ascorbic acid http://langual.org Codex::300 Europe::300 http://www.langual.org/langual_thesaurus.asp?termid=B3005 vitamin c chebi_ontology ascorbic acid, l- l-ascorbic acid CHEBI:22652 LanguaL curation note: See "food additive" comments. LanguaL term definition: Food additive; technological purpose(s): acidity regulator, antioxidant, flour treatment agent. ascorbic acid ascorbic acid An alpha-amino acid in which one of the hydrogens attached to the alpha-carbon of glycine is substituted by a 2-amino-2-oxoethyl group. 0 C4H8N2O3 InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9) DCXYFEDJOCDNAF-UHFFFAOYSA-N 132.11800 132.05349 NC(CC(N)=O)C(O)=O Beilstein:1723525 CAS:3130-87-8 Gmelin:279043 KEGG:C16438 PMID:22264337 PMID:22770225 Reaxys:1723525 Wikipedia:Asparagine asparagine chebi_ontology 2,4-diamino-4-oxobutanoic acid 2-amino-3-carbamoylpropanoic acid ASN Asn Asparagin DL-Asparagine Hasp N asparagina CHEBI:22653 asparagine asparagine An alpha-amino acid that consists of succinic acid bearing a single alpha-amino substituent 0 C4H7NO4 InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9) CKLJMWTZIZZHCS-UHFFFAOYSA-N 133.10272 133.03751 NC(CC(O)=O)C(O)=O Beilstein:774618 CAS:617-45-8 Gmelin:185140 KEGG:C16433 PMID:22264337 Reaxys:774618 Wikipedia:Aspartic_acid Aspartic acid aspartic acid chebi_ontology (+-)-Aspartic acid (R,S)-Aspartic acid 2-aminobutanedioic acid Asp D DL-Aminosuccinic acid DL-Asparagic acid CHEBI:22660 aspartic acid aspartic acid Any arenecarbaldehyde that consists of a formyl substituted benzene ring and its substituted derivatives thereof. benzaldehydes A triol in which three hydroxy groups are substituted onto a benzene ring. benzenetriol Any benzenoid aromatic compound consisting of the benzene skeleton and its substituted derivatives. benzenes An organic heterocyclic compound containing a benzene ring fused to an imidazole ring. benzimidazoles Any aromatic carboxylic acid that consists of benzene in which at least a single hydrogen has been substituted by a carboxy group. benzoic acids benzopyran benzopyrrole Any quinone resulting from the formal oxidation of catechol, hydroquinone, or their C-substituted derivatives. benzoquinones Compounds containing a phenylmethanol skeleton. benzyl alcohols Any D-glucoside in which the anomeric centre has beta-configuration. 0 C6H11O6R 179.148 179.05556 [C@@H]1(O[C@H]([C@H](O)[C@H]([C@@H]1O)O)O*)CO CHEBI:10400 KEGG:C00963 beta-D-glucoside chebi_ontology a beta-D-glucoside beta-D-glucosides beta-d-glucoside CHEBI:22798 beta-D-glucoside β-D-glucoside Benzenoid aromatic compounds containing two phenyl or substituted-phenyl groups which are joined together by a single bond. biphenyls boron molecular entity Any amino acid in which the parent hydrocarbon chain has one or more alkyl substituents branched-chain amino acid butenedioic acid 0 Cd InChI=1S/Cd BDOSMKKIYDKNTQ-UHFFFAOYSA-N 112.41100 113.90336 [Cd] CAS:7440-43-9 KEGG:C01413 WebElements:Cd cadmium chebi_ontology 48Cd Cd Kadmium cadmio cadmium CHEBI:22977 cadmium atom cadmium atom 0 Ca InChI=1S/Ca OYPRJOBELJOOCE-UHFFFAOYSA-N 40.07800 39.96259 [Ca] CAS:7440-70-2 DrugBank:DB01373 KEGG:C00076 WebElements:Ca calcium chebi_ontology 20Ca Ca Calcium Kalzium calcio calcium CHEBI:22984 calcium atom calcium atom calcium molecular entity carbon oxide Organooxygen compounds that are salts or esters of carbonic acid, H2CO3. carbonates Hydrocarbon carotenoids. carotenes http://langual.org Codex::160a Europe::160a http://www.langual.org/langual_thesaurus.asp?termid=B4414 carotene carotenes chebi_ontology carotenes CHEBI:23042 LanguaL curation note: See "food additive" comments. LanguaL term definition: Food additive. carotene carotene One of a class of tetraterpenoids (C40), formally derived from the acyclic parent, psi,psi-carotene by hydrogenation, dehydrogenation, cyclization, oxidation, or combination of these processes. This class includes carotenes, xanthophylls and certain compounds that arise from rearrangement of the skeleton of psi,psi-carotene or by loss of part of this structure. Retinoids are excluded. CAS:36-88-4 carotenoid chebi_ontology carotenes and carotenoids carotenoids CHEBI:23044 carotenoid carotenoid carotenol Members of the class of hydroxyflavan that have a flavan-3-ol skeleton and its substituted derivatives. 0 C15H14O6 InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2 PFTAWBLQPZVEMU-UHFFFAOYSA-N 290.269 290.07904 C1(C=2C=C(C(O)=CC2)O)OC=3C(=C(C=C(C3)O)O)CC1O KEGG:C17590 LINCS:LSM-1682 catechin chebi_ontology (+/-)-Catechin catechins CHEBI:23053 catechin catechin chebi_ontology CHEBI:23055 catechol melanin catechol melanin A ketone that is 1,3-diphenylpropenone (benzylideneacetophenone), ArCH=CH(=O)Ar, and its derivatives formed by substitution. KEGG:C15589 chalcones chebi_ontology chalconoid chalconoids CHEBI:23086 chalcone chalcones chloride salt A halogen molecular entity containing one or more atoms of chlorine. chlorine molecular entity A quaternary ammonium ion based on the choline ion and its substituted derivatives thereof. cholines Any member of the class of chromanes that is chromane substituted by one or more hydroxy groups. chromanol chromanes A chromenone that consists of a 1,4-benzopyrone skeleton and its substituted derivatives thereof. chebi_ontology 1,4-benzopyrones CHEBI:23238 chromones chromones cob(III)alamins cobalamins cobamides Any constitutionally or isotopically distinct atom, molecule, ion, ion pair, radical, radical ion, complex, conformer etc., identifiable as a separately distinguishable entity. molecular entity cobalt-corrinoid hexaamide A monohydroxycinnamic acid that is prop-2-enoic acid substituted by a hydroxyphenyl group at position 3. 0 C9H8O3 164.158 164.04734 CAS:25429-38-3 3-(hydroxyphenyl)prop-2-enoic acid chebi_ontology 3-(hydroxyphenyl)-2-propenoic acid hydroxycinnamic acid CHEBI:23401 coumaric acid coumaric acid cyclic oligosaccharide A macrocycle composed of five or more D-glucopyranose units bonded via (1->4)-linkages. cyclodextrin An amino acid derivative resulting from reaction of cysteine at the amino group, carboxy group, or thiol group, or from the replacement of any hydrogen of cysteine by a heteroatom. The definition normally excludes peptides containing cysteine residues. cysteine derivative Glucans produced by the hydrolysis of starch or glycogen. They are mixtures of polymers of D-glucose units linked by alpha(1->4) or alpha(1->6) glycosidic bonds. dextrins An azole that is either one of a pair of heterocyclic organic compounds comprising three carbon atoms and two nitrogen atoms arranged in a ring. diazole dimethylxanthine A compound that contains two hydroxy groups, generally assumed to be, but not necessarily, alcoholic. Aliphatic diols are also called glycols. diol Any terpenoid derived from a diterpene. The term includes compounds in which the C20 skeleton of the parent diterpene has been rearranged or modified by the removal of one or more skeletal atoms (generally methyl groups). LIPID_MAPS_class:LMPR0104 diterpenoids chebi_ontology C20 isoprenoids diterpenoides CHEBI:23849 diterpenoid diterpenoid A form of hydrolysable tannin produced from ellagic acid. Ellagitannins are glucosides which are readily hydrolysed by water to regenerate ellagic acid when the plants are eaten. Wikipedia:Ellagitannin chebi_ontology ellagitannins CHEBI:23909 ellagitannin ellagitannin Any primary alcohol based on an ethanol skeleton. ethanols flavin mononucleotide Compounds containing at least one furan ring. furans CHEBI:5260 chebi_ontology galacturonans CHEBI:24174 galacturonan galacturonan A class of hydrolysable tannins obtained by condensation of the carboxy group of gallic acid (and its polymeric derivatives) with the hydroxy groups of a monosaccharide (most commonly glucose). CAS:18483-17-5 KEGG:C17458 Wikipedia:Gallotannin chebi_ontology 1,3,6-Tri-o-galloyl-beta-D-glucose gallotannins CHEBI:24182 gallotannin gallotannin gluconic acid http://langual.org Codex::574 Europe::574 http://www.langual.org/langual_thesaurus.asp?termid=B3104 gluconic acid, d- LanguaL curation note: See "food additive" comments. LanguaL term definition: Food additive; technological purpose(s): acidity regulator, raising agent. gluconic acid An oligosaccharide comprised of glucose residues. glucooligosaccharide Any hexosamine that is glucose in which at least one of the hydroxy groups has been replaced by an amino group. glucosamines chebi_ontology glucosides CHEBI:24278 glucoside glucoside An amino acid derivative resulting from reaction of glutamic acid at the amino group or either of the carboxy groups, or from the replacement of any hydrogen by a heteroatom. The definition normally excludes peptides containing glutamic acid residues. glutamic acid derivative glycogens chebi_ontology glycoglycerolipids CHEBI:24385 glycoglycerolipid glycoglycerolipid A glycosyl compound resulting from the attachment of a glycosyl group to a non-acyl group RO-, RS-, RSe-, etc. The bond between the glycosyl group and the non-acyl group is called a glycosidic bond. By extension, the terms N-glycosides and C-glycosides are used as class names for glycosylamines and for compounds having a glycosyl group attached to a hydrocarbyl group respectively. These terms are misnomers and should not be used. The preferred terms are glycosylamines and C-glycosyl compounds, respectively. glycoside glycosylglucose Any disaccharide in which the two monosaccharide components are connected by a glycosidic linkage between their anomeric centres. glycosyl glycoside A chemical entity is a physical entity of interest in chemistry including molecular entities, parts thereof, and chemical substances. chemical entity A role played by the molecular entity or part thereof within a biological context. biological role Any organonitrogen compound containing a carbamimidamido (guanidino) group. Guanidines have the general structure (R(1)R(2)N)(R(3)R(4)N)C=N-R(5) and are related structurally to amidines and ureas. guanidines halogen molecular entity A cyclic compound having as ring members atoms of carbon and at least of one other element. organic heterocyclic compound hexadienoic acid hexitol Any 6-carbon amino monosaccharide with at least one alcoholic hydroxy group replaced by an amino group. hexosamine A compound consisting of carbon and hydrogen only. hydrocarbon Hydroxides are chemical compounds containing a hydroxy group or salts containing hydroxide (OH(-)). hydroxides Any carboxylic acid with at least one hydroxy group. hydroxy carboxylic acid Any benzoic acid carrying one or more phenolic hydroxy groups on the benzene ring. 0 C7H6O3 138.121 138.03169 CHEBI:50778 hydroxybenzoic acid chebi_ontology hydroxybenzoic acids CHEBI:24676 hydroxybenzoic acid hydroxybenzoic acid Any member of the class of cinnamic acids carrying one or more hydroxy substituents. chebi_ontology hydroxycinnamates hydroxycinnamic acids CHEBI:24689 hydroxycinnamic acid hydroxycinnamic acid A proline derivative that is proline substituted by at least one hydroxy group. chebi_ontology CHEBI:24741 hydroxyproline hydroxyproline A five-membered organic heterocycle containing two nitrogen atoms at positions 1 and 3, or any of its derivatives; compounds containing an imidazole skeleton. imidazoles imide Any compound containing an indole skeleton. indoles A compound which contains oxygen, at least one other element, and at least one hydrogen bound to oxygen, and which produces a conjugate base by loss of positive hydrogen ion(s) (hydrons). oxoacid A molecular entity that contains no carbon. inorganic molecular entity inorganic oxide Any phosphate that contains no carbon atom. inorganic phosphate inorganic salt inorganic sulfate salt inosine phosphate Any cyclohexane-1,2,3,4,5,6-hexol. 0 C6H12O6 InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H CDAISMWEOUEBRE-UHFFFAOYSA-N 180.15588 180.06339 OC1C(O)C(O)C(O)C(O)C1O inositol inositols chebi_ontology 1,2,3,4,5,6-cyclohexanehexol inositols CHEBI:24848 inositol inositol Chemical element with atomic number 53. 0 I InChI=1S/I ZCYVEMRRCGMTRW-UHFFFAOYSA-N 126.90447 126.90447 [I] WebElements:I iodine chebi_ontology 53I I Iod J Jod iode iodine iodium yodo CHEBI:24859 iodine atom iodine atom iodine molecular entity A salt is an assembly of cations and anions. salt chebi_ontology Salz Salze ionic compound ionic compounds sal sales salts sel sels CHEBI:24866 salt salt organic salt A molecular entity having a net electric charge. ion iron molecular entity A 2-amino-3-methylpentanoic acid having either (2R,3R)- or (2S,3S)-configuration. 0 C6H13NO2 131.175 131.09463 Beilstein:1721790 CAS:443-79-8 PMID:17190852 Reaxys:1721790 isoleucine chebi_ontology Hile rel-(2R,3R)-2-amino-3-methylpentanoic acid CHEBI:24898 isoleucine isoleucine Any lipid formally derived from isoprene (2-methylbuta-1,3-diene), the skeleton of which can generally be discerned in repeated occurrence in the molecule. The skeleton of isoprenoids may differ from strict additivity of isoprene units by loss or shift of a fragment, commonly a methyl group. The class includes both hydrocarbons and oxygenated derivatives. LIPID_MAPS_class:LMPR01 PMID:12769708 PMID:19219049 isoprenoid isoprenoids chebi_ontology isoprenoids CHEBI:24913 isoprenoid isoprenoid Oxo carboxylic acids formally derived from aldonic acids by replacement of a secondary CHOH group by a carbonyl group. ketoaldonic acid Any hexose containing a single ketone group. ketohexose Ketonic parent sugars (polyhydroxy ketones H[CH(OH)]nC(=O)[CH(OH)]mH) and their intramolecular hemiketals. ketose Any organic salt that has lactate as the cation. lactate salt Any cyclic carboxylic ester containing a 1-oxacycloalkan-2-one structure, or an analogue having unsaturation or heteroatoms replacing one or more carbon atoms of the ring. lactone 0 Pb InChI=1S/Pb WABPQHHGFIMREM-UHFFFAOYSA-N 207.20000 207.97665 [Pb] KEGG:C06696 WebElements:Pb lead chebi_ontology 82Pb Blei Pb lead plomb plomo plumbum CHEBI:25016 lead atom lead atom A branched-chain amino acid that consists of glycine in which one of the hydrogens attached to the alpha-carbon is substituted by an isobutyl group. 0 C6H13NO2 InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9) ROHFNLRQFUQHCH-UHFFFAOYSA-N 131.17296 131.09463 CC(C)CC(N)C(O)=O Beilstein:636005 CAS:328-39-2 Gmelin:50203 KEGG:C16439 LIPID_MAPS_instance:LMFA01100048 PMID:17439666 Reaxys:636005 Wikipedia:Leucine leucine chebi_ontology (+-)-Leucine (RS)-Leucine 2-amino-4-methylpentanoic acid DL-Leucine Hleu L Leu Leucin Leuzin CHEBI:25017 leucine leucine Any phenylpropanoid derived from phenylalanine via dimerization of substituted cinnamic alcohols, known as monolignols, to a dibenzylbutane skeleton. Note that while individual members of the class have names ending ...lignane, ...lignene, ...lignadiene, etc., the class names lignan, neolignan, etc., do not end with an "e". CHEBI:25035 lignan chebi_ontology lignans CHEBI:25036 lignan lignan A two-membered subclass of octadecatrienoic acid comprising the (9Z,12Z,15Z)- and (6Z,9Z,12Z)-isomers. Linolenic acids are nutrients essential to the formation of prostaglandins and are also used in making paints and synthetic resins. chebi_ontology C18:3 Linolensaeure linolenic acids CHEBI:25048 linolenic acid linolenic acid A complex mixture of polysaccharides extracted from species of red algae. Its two main components are agarose and agaropectin. Agarose is the component responsible for the high-strength gelling properties of agar, while agaropectin provides the viscous properties. agar http://langual.org Codex::406 Europe::406 http://www.langual.org/langual_thesaurus.asp?termid=B2983 LanguaL curation note: See "food additive" comments. LanguaL term definition: Food additive; technological purpose(s): bulking agent, carrier, coating agent, emulsifier, glazing agent, gelling agent, humectant, stabilizer, thickener. agar A diamino acid that is caproic (hexanoic) acid bearing two amino substituents at positions 2 and 6. 0 C6H14N2O2 InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10) KDXKERNSBIXSRK-UHFFFAOYSA-N 146.18764 146.10553 NCCCCC(N)C(O)=O Beilstein:1616991 CAS:70-54-2 Gmelin:279284 KEGG:C16440 PMID:17439666 PMID:22264337 Reaxys:1616991 Wikipedia:Lysine 2,6-diaminohexanoic acid lysine chebi_ontology K LYS Lysin alpha,epsilon-diaminocaproic acid CHEBI:25094 lysine lysine A macrocyclic lactone with a ring of twelve or more members derived from a polyketide. macrolide 0 Mg InChI=1S/Mg FYYHWMGAXLPEAU-UHFFFAOYSA-N 24.30500 23.98504 [Mg] CAS:7439-95-4 DrugBank:DB01378 Gmelin:16207 KEGG:C00305 WebElements:Mg magnesium chebi_ontology 12Mg Magnesium Mg magnesio magnesium CHEBI:25107 magnesium atom magnesium atom magnesium molecular entity magnesium porphyrin A dextrin in which the D-glucose units are linked by alpha-(1->4) glycosidic bonds. maltodextrin http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=C0282 maltodextrin p-menthane monoterpenoid Any secondary alcohol that is one of the eight possible diastereoisomers of 5-methyl-2-(propan-2-yl)cyclohexan-1-ol. p-menthan-3-ol 0 Hg InChI=1S/Hg QSHDDOUJBYECFT-UHFFFAOYSA-N 200.59000 201.97064 [Hg] CAS:7439-97-6 WebElements:Hg mercury chebi_ontology 80Hg Hg Quecksilber azogue hydrargyrum liquid silver mercure mercurio mercury quicksilver CHEBI:25195 mercury atom mercury atom metalloporphyrin Compounds containing a benzene skeleton substituted with one methoxy group. monomethoxybenzene Any carboxylic ester resulting from the formal condensation of a carboxy group with methanol. methyl ester An alkylmercury compound in which the alkyl group specified is methyl. chebi_ontology methylmercury compounds CHEBI:25322 methylmercury compound methylmercury compound methylxanthine Any polyatomic entity that is an electrically neutral entity consisting of more than one atom. molecule An oxoacid containing a single carboxy group. monocarboxylic acid Any terpenoid derived from a monoterpene. The term includes compounds in which the C10 skeleton of the parent monoterpene has been rearranged or modified by the removal of one or more skeletal atoms (generally methyl groups). LIPID_MAPS_class:LMPR0102 chebi_ontology monoterpenoids CHEBI:25409 monoterpenoid monoterpenoid Any fatty acid with one double or triple bond in the fatty acid chain and singly bonded carbon atoms in the rest of the chain. MUFAs have positive effects on the cardiovascular system, and in diabetes treatment. PMID:10584045 PMID:12936956 chebi_ontology MUFA MUFAs monounsaturated fatty acids CHEBI:25413 monounsaturated fatty acid monounsaturated fatty acid A polycyclic aromatic ketone metabolite of naphthalene. chebi_ontology naphthoquinones CHEBI:25481 naphthoquinone napthoquinone A phenylpropanoid that includes plant products formed primarily from oxidative coupling of two para-propylphenol moities. Unlike lignan, the units are coupled at positions other than their beta-carbon atoms. chebi_ontology neolignans CHEBI:25497 neolignan neolignan An epoxycarotenoid that is 6,7-didehydro-5,5',6,6'-tetrahydro-5',6'-epoxy-beta,beta-carotene which is substituted by hydroxy groups at the 3, 3', and 5 positions. 0 C40H56O4 InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-22-35-36(5,6)25-33(41)27-38(35,9)43)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)26-34(42)28-39(40,10)44-40/h11-21,23-24,33-34,41-43H,25-28H2,1-10H3/t22-,33-,34-,38+,39+,40-/m0/s1 PGYAYSRVSAJXTE-QLIYCPSBSA-N 600.87020 600.41786 [H]C(=CC([H])=C(C)C([H])=CC([H])=C(C)C([H])=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O)C=C(C)C=C([H])C=C(C)C=C([H])[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C CAS:30743-41-0 KEGG:C08606 KNApSAcK:C00003780 chebi_ontology all-trans-Neoxanthin CHEBI:25501 neoxanthin neoxanthin A member of the class of pyridines that is a substituted pyridine in which at least one of the substituents is a carboxamide or N-substituted caraboxamide group. pyridinecarboxamide nitrites 0 N 14.007 14.00307 WebElements:N nitrogen chebi_ontology 7N N Stickstoff azote nitrogen nitrogeno CHEBI:25555 nitrogen atom nitrogen atom nonmetal atom A nucleobase-containing molecular entity that is a nucleoside in which one or more of the sugar hydroxy groups has been converted into a mono- or poly-phosphate. The term includes both nucleotides and non-nucleotide nucleoside phosphates. nucleoside phosphate Any trienoic fatty acid having eighteen carbons. octadecatrienoic acid A peptide containing a relatively small number of amino acids. oligopeptide A family of polyunsaturated fatty acids that have in common a final carbon-carbon double bond in the omega-3 position, i.e., the third bond from the methyl end of the fatty acid. PMID:15129302 PMID:15253883 PMID:15555528 PMID:16741195 PMID:19154523 PMID:19439966 PMID:21975796 PMID:23643471 PMID:24012777 PMID:24122252 PMID:24128563 PMID:24172034 PMID:24211484 PMID:24240437 PMID:24246761 PMID:24281905 PMID:24397938 PMID:24401220 PMID:24418228 Wikipedia:Omega-3_fatty_acid omega-3 fatty acid omega-3-fatty acid chebi_ontology n-3 fatty acid n-3 fatty acids omega-3 fatty acids CHEBI:25681 omega-3 fatty acid ω−3 fatty acid organic heteromonocyclic compound Any organic ion with a net negative charge. organic anion Any organic ion with a net positive charge. organic cation An organooxygen compound with formula ROR, where R is not hydrogen. ether organic ion An oxide in which the oxygen atom is bonded to a carbon atom. organic oxide organic phosphate Compounds of the general formula SO3HOR where R is an organyl group organic sulfate An alcohol derived from an aliphatic compound. aliphatic alcohol An organophosphorus compound is formally a compound containing at least one carbon-phosphorus bond, but the term is often extended to include esters and thioesters. organophosphorus compound An oxide is a chemical compound of oxygen with other chemical elements. oxide oxygen molecular entity A quinone in which the two oxo groups of the quinone are located para to each other on the 6-membered quinonoid ring. p-quinones A fatty acid ester obtained by condensation of the carboxy group of palmitic acid with a hydroxy group of an alcohol or phenol. hexadecanoate ester An anthocyanidin cation that is flavylium substituted by a hydroxy groups at positions 3, 5, 7 and 4'. +1 C15H11O5 InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)15-13(19)7-11-12(18)5-10(17)6-14(11)20-15/h1-7H,(H3-,16,17,18,19)/p+1 XVFMGWDSJLBXDZ-UHFFFAOYSA-O 271.24484 271.06010 Oc1ccc(cc1)-c1[o+]c2cc(O)cc(O)c2cc1O Beilstein:1688614 CAS:134-04-3 CAS:7690-51-9 KEGG:C05904 KNApSAcK:C00007232 LIPID_MAPS_instance:LMPK12010003 PMID:15588587 PMID:23419638 Reaxys:1688614 Wikipedia:Pelargonidin 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromenylium pelargonidin chebi_ontology 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium CHEBI:25863 pelargonidin pelargonidin An alditol obtained by reduction of any pentose. pentitol aldopentose phosphate A chemically diverse class of peptides that exhibit antimicrobial properties. peptide antibiotic Any organic aromatic compound with a structure based on a phenylpropane skeleton. The class includes naturally occurring phenylpropanoid esters, flavonoids, anthocyanins, coumarins and many small phenolic molecules as well as their semi-synthetic and synthetic analogues. Phenylpropanoids are also precursors of lignin. Wikipedia:Phenylpropanoid chebi_ontology phenylpropanoids CHEBI:26004 phenylpropanoid phenylpropanoid Salts and esters of phosphoric and oligophosphoric acids and their chalcogen analogues. In inorganic chemistry, the term is also used to describe anionic coordination entities with phosphorus as central atom. phosphate A phosphorus oxoacid that consists of one oxo and three hydroxy groups joined covalently to a central phosphorus atom. phosphoric acid http://langual.org Codex::338 Europe::338 http://www.langual.org/langual_thesaurus.asp?termid=B3186 LanguaL curation note: See "food additive" comments. LanguaL term definition: Food additive; technological purpose(s): acidity regulator, antioxidant synergist, sequestrant. phosphoric acid phosphoric acid derivative phosphorus molecular entity phylloquinones 0 C40H64 InChI=1S/C40H64/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,19-22,27-30H,13-18,23-26,31-32H2,1-10H3 YVLPJIGOMTXXLP-UHFFFAOYSA-N 544.93620 544.50080 [H]C(=CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C 2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,16,18,22,26,30-nonaene chebi_ontology CHEBI:26119 phytoene phytoene Sterols similar to cholesterol which occur in plants and vary only in carbon side chains and/or presence or absence of a double bond. Wikipedia:Phytosterol chebi_ontology CHEBI:26125 phytosterol phytosterols phytylnaphthoquinone Any amino acid whose side chain is capable of forming one or more hydrogen bonds. polar amino acid A macromolecule composed of units connected by carboxylic ester (-O-CO-) linkages. polyester macromolecule Natural and synthetic compounds containing alternating carbonyl and methylene groups ('beta-polyketones'), biogenetically derived from repeated condensation of acetyl coenzyme A (via malonyl coenzyme A), and usually the compounds derived from them by further condensations, etc. Considered by many to be synonymous with the less frequently used terms acetogenins and ketides. polyketide A compound that contains two or more hydroxy groups. chebi_ontology polyols CHEBI:26191 polyol polyol Members of the class of phenols that contain 2 or more benzene rings each of which is substituted by at least one hydroxy group. Wikipedia:Polyphenol chebi_ontology polyphenols CHEBI:26195 polyphenol polyphenol Any phosphate that is a salt or an ester of polyphosphoric acid or its chalcogen analogues. polyphosphates http://langual.org Codex::452 Europe::452 http://www.langual.org/langual_thesaurus.asp?termid=B4441 LanguaL curation note: See "food additive" comments. LanguaL term definition: Food additive. polyphosphates Any fatty acid containing more than one double bond. Acids in this group are reported to have cardioprotective effects; and levels are lowered in chronic fatigue syndrome. PMID:14977874 PMID:16380690 PMID:17891522 chebi_ontology PUFA PUFAs polyunsaturated fatty acids CHEBI:26208 polyunsaturated fatty acid polyunsaturated fatty acid Natural pigments containing a fundamental skeleton of four pyrrole nuclei united through the alpha-positions by four methine groups to form a macrocyclic structure. porphyrins 0 K InChI=1S/K ZLMJMSJWJFRBEC-UHFFFAOYSA-N 39.09830 38.96371 [K] CAS:7440-09-7 DrugBank:DB01345 KEGG:C00238 WebElements:K potassium chebi_ontology 19K K Kalium kalium potasio potassium CHEBI:26216 potassium atom potassium atom potassium molecular entity Any alkali metal salt having potassium(1+) as the cation. potassium salt A quinone substituted by a polyprenyl-derived side-chain. Prenylquinones occur in all living cells. Due to their amphiphilic character, they are mainly located in biological membranes where they function as electron and proton carriers in the photosynthetic and respiratory electron transport chains. Some prenylquinones also perform more specialised roles sucy as antioxidants and enzyme cofactors. Prenylquinones are classified according to ring structure: the main classes are menaquinones, phylloquinones, ubiquinones and plastoquinones. prenylquinone A flavonoid oligomer obtained by the the condensation of two or more units of hydroxyflavans. Wikipedia:Proanthocyanidin chebi_ontology condensed tannin condensed tannins polyflavonoid tannins proanthocyanidins CHEBI:26267 proanthocyanidin proanthocyanidin An alpha-amino acid that is pyrrolidine bearing a carboxy substituent at position 2. 0 C5H9NO2 InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8) ONIBWKKTOPOVIA-UHFFFAOYSA-N 115.13050 115.06333 OC(=O)C1CCCN1 Beilstein:80809 CAS:609-36-9 Gmelin:26927 KEGG:C16435 PMID:16534801 PMID:21400017 PMID:21903295 PMID:22264337 PMID:22280966 PMID:22770225 Reaxys:80809 Wikipedia:Proline proline chebi_ontology DL-Proline Hpro Prolin prolina pyrrolidine-2-carboxylic acid CHEBI:26271 proline proline propane-1,2-diols propanediol pteridines pterins Members of the class of benzofurochromene with a 6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene skeleton and its substituted derivatives. They generally bear structural resemblance to isoflavanoids that possess antibiotic activity and are produced by plant tissues in response to infection. They are the 3,4-dihydroderivatives of coumestans. 0 C15O2R12 212.15930 211.98983 [*]c1c([*])c([*])c2c(OC([*])([*])C3([*])c4c([*])c([*])c([*])c([*])c4OC23[*])c1[*] CHEBI:60953 MetaCyc:PTEROCARPANS Wikipedia:Pterocarpan chebi_ontology isoflavonoid phytoalexin isoflavonoid phytoalexins CHEBI:26377 pterocarpans pterocarpans pullulans purine alkaloid purine nucleoside monophosphate Any nucleotide that has a purine nucleobase. purine nucleotide purine ribonucleoside monophosphate Any ribonucleotide that has a purine nucleobase. purine ribonucleotide A class of imidazopyrimidines that consists of purine and its substituted derivatives. purines pyridine alkaloid A monocarboxylic acid in which the carboxy group is attached to a pyridine (or substituted pyridine) ring. pyridinemonocarboxylic acid Any organonitrogen heterocyclic compound based on a pyridine skeleton and its substituted derivatives. pyridines A cyclitol carboxylic acid. PMID:15589483 PMID:19952409 PMID:23590498 chebi_ontology CHEBI:26493 quinic acid quinic acid A class of aromatic heterocyclic compounds each of which contains a benzene ring ortho fused to carbons 2 and 3 of a pyridine ring. quinolines Oxygenated derivatives of 3,7-dimethyl-1-(2,6,6-trimethylcyclohex-1-enyl)nona-1,3,5,7-tetraene and derivatives thereof. retinoid chebi_ontology CHEBI:26543 rhamnogalacturonan rhamnogalacturonan A deoxymannose sugar that is the 6-deoxy derivative of hexose. 0 C6H12O5 164.157 164.06847 PMID:24211429 PMID:24831810 chebi_ontology ramnose CHEBI:26546 rhamnose rhamnose ribonucleoside monophosphate ribonucleotide ribose phosphate Any fatty acid containing no carbon to carbon multiple bonds. Known to produce adverse biological effects when ingested to excess. PMID:16492686 PMID:19763019 PMID:20237329 saturated fatty acid chebi_ontology SFA SFAs saturated fatty acids CHEBI:26607 saturated fatty acid saturated fatty acid An L-alpha-amino acid which is biosynthesised from 3-phosphoglycerate (i.e. serine, glycine, cysteine and homocysteine). A closed class. serine family amino acid Any terpenoid derived from a sesquiterpene. The term includes compounds in which the C15 skeleton of the parent sesquiterpene has been rearranged or modified by the removal of one or more skeletal atoms (generally methyl groups). LIPID_MAPS_class:LMPR0103 chebi_ontology sesquiterpenoides sesquiterpenoids CHEBI:26658 sesquiterpenoid sesquiterpoid An aliphatic monocarboxylic acid with a chain length of less than C6. If any non-hydrocarbon substituent is present, the compound is not normally regarded as a short-chain fatty acid. short-chain fatty acid silicon molecular entity 0 Na InChI=1S/Na KEAYESYHFKHZAL-UHFFFAOYSA-N 22.98977 22.98977 [Na] CAS:7440-23-5 Gmelin:16221 KEGG:C01330 WebElements:Na sodium chebi_ontology 11Na Na Natrium natrium sodio sodium CHEBI:26708 sodium atom sodium atom An inorganic chloride salt having sodium(1+) as the counterion. 0 ClNa InChI=1S/ClH.Na/h1H;/q;+1/p-1 FAPWRFPIFSIZLT-UHFFFAOYSA-M 58.44247 57.95862 [Na+].[Cl-] Beilstein:3534976 CAS:7647-14-5 Gmelin:13673 KEGG:C13563 KEGG:D02056 MetaCyc:NACL PPDB:595 Reaxys:3534976 Wikipedia:Sodium_Chloride sodium chloride chebi_ontology Kochsalz NaCl Natriumchlorid chlorure de sodium cloruro sodico common salt halite natrii chloridum rock salt salt table salt CHEBI:26710 sodium chloride sodium chloride sodium molecular entity Any alkali metal salt having sodium(1+) as the cation. sodium salt Any steroid that acts as hormone. steroid hormone 0 C14H12 InChI=1S/C14H12/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-12H PJANXHGTPQOBST-UHFFFAOYSA-N 180.24508 180.09390 [H]C(=C([H])c1ccccc1)c1ccccc1 Beilstein:1904445 CAS:588-59-0 Gmelin:67845 Wikipedia:Stilbene 1,1'-(ethene-1,2-diyl)dibenzene stilbene chebi_ontology 1,1'-(1,2-ethenediyl)bis[benzene] 1,1'-(1,2-ethenediyl)bisbenzene 1,1'-(1,2-ethenediyl)dibenzene 1,1'-ethene-1,2-diyldibenzene 1,2-diphenylethylene alpha,beta-diphenylethylene CHEBI:26775 stilbene stilbene Any olefinic compound characterised by a 1,2-diphenylethylene backbone. chebi_ontology stilbenes stilbenoids CHEBI:26776 stilbenoid stilbenoid carbohydrate phosphate An ester of an alcohol and sulfuric acid. sulfuric ester Salts and esters of sulfuric acid sulfates Any sulfurous acid derivative that is a salt or an ester of sulfurous acid. sulfites 0 S InChI=1S/S NINIDFKCEFEMDL-UHFFFAOYSA-N 32.06600 31.97207 [S] CAS:7704-34-9 KEGG:C00087 KEGG:D06527 PPDB:605 WebElements:S sulfur chebi_ontology 16S Elemental sulfur S Schwefel azufre soufre sulfur sulphur theion CHEBI:26833 sulfur atom sulfur atom sulfur-containing amino acid sulfur molecular entity A sulfur oxoacid that consists of two oxo and two hydroxy groups joined covalently to a central sulfur atom. sulphuric acid http://langual.org Codex::513 Europe::513 http://www.langual.org/langual_thesaurus.asp?termid=B3296 sulfuric acid LanguaL curation note: See "food additive" comments. LanguaL term definition: Food additive; technological purpose(s): acidity regulator. sulfuric acid Any of a group of astringent polyphenolic vegetable principles or compounds, chiefly complex glucosides of catechol and pyrogallol. Wikipedia:Tannin chebi_ontology tannins CHEBI:26848 tannin tannin 0 C4H6O6 150.08684 150.01644 Beilstein:1725148 Beilstein:6270431 CAS:133-37-9 Gmelin:82691 PMID:24507823 PMID:24556732 YMDB:YMDB01788 rel-(2R,3R)-2,3-dihydroxybutanedioic acid chebi_ontology (2R,3R)-rel-2,3-dihydroxybutanedioic acid (2RS,3RS)-tartaric acid (R*,R*)-(+-)-2,3-dihydroxybutanedioic acid (R*,R*)-2,3-dihydroxybutanedioic acid DL-tartaric acid Traubensaeure Vogesensaeure acide tartrique acido tartarico dl-tartaric acid para-Weinsaeure paratartaric acid racemic acid racemic tartaric acid racemische Weinsaeure resolvable tartaric acid uvic acid CHEBI:26849 tartaric acid tartaric acid Any isoprenoid that is a natural product or related compound formally derived from isoprene units. Terpenoids may contain oxygen in various functional groups. This class is subdivided according to the number of carbon atoms in the parent terpene. The skeleton of terpenoids may differ from strict additivity of isoprene units by the loss or shift of a fragment, generally a methyl group. Wikipedia:Terpenoid Terpenoid terpenoids chebi_ontology terpenoide terpenoides CHEBI:26873 terpenoid terpenoid Any oxacycle having an oxolane (tetrahydrofuran) skeleton. oxolanes A natural pigment containing four pyrrole rings joined by one-carbon units linking position 2 of one pyrrole ring to position 5 of the next. tetrapyrrole tetraric acid Any terpenoid derived from a tetraterpene. The term includes compounds in which the C40 skeleton of the parent tetraterpene has been rearranged or modified by the removal of one or more skeletal atoms (generally methyl groups). LIPID_MAPS_class:LMPR0107 tetraterpenoids chebi_ontology C40 isoprenoids tetraterpenoides CHEBI:26935 tetraterpenoid tetraterpenoid Any member of the group of 1,3-thiazolium cations that exhibit biological activity against vitamin B1 deficiency in animals. Symptoms of vitamin B1 deficiency include constipation, loss of apetite, fatigue, nausea, delirium, blurry vision and muscle weakness. Severe vitamin B1 deficiency can also lead to a disease known as beriberi. Vitamin B1 consists of the vitamer thiamin and its acid, aldehyde and phosphorylated derivatives (and their corresponding ionized, salt and hydrate forms). http://langual.org PMID:28859374 PMID:32554808 http://www.langual.org/langual_thesaurus.asp?termid=B3755 vitamin B1 vitamin b1 chebi_ontology thiamine thiamines thiamins vitamin B1 vitamer vitamin B1 vitamers vitamins B1 CHEBI:26948 vitamin B1 vitamin B1 An organic tricyclic compound in which at least one of the rings of the tricyclic skeleton contains one or more heteroatoms. organic heterotricyclic compound An alpha-amino acid in which one of the hydrogens attached to the alpha-carbon of glycine is substituted by a 1-hydroxyethyl group. 0 C4H9NO3 119.119 119.05824 Beilstein:8204750 CAS:80-68-2 PMID:11379295 PMID:15221503 PMID:22264337 Wikipedia:Threonine threonine chebi_ontology Threonin CHEBI:26986 threonine threonine 0 Sn InChI=1S/Sn ATJFFYVFTNAWJD-UHFFFAOYSA-N 118.71000 119.90220 [Sn] CAS:7440-31-5 UM-BBD_compID:c0585 WebElements:Sn tin chebi_ontology 50Sn Sn Zinn estano etain stannum tin CHEBI:27007 tin atom tin atom A collective name for a group of closely related lipids that contain a chroman-6-ol nucleus substituted at position 2 by a methyl group and by a saturated hydrocarbon chain consisting of three isoprenoid units. They are designated as alpha-, beta-, gamma-, and delta-tocopherol depending on the number and position of additional methyl substituents on the aromatic ring. Tocopherols occur in vegetable oils and vegetable oil products, almost exclusively with R,R,R configuration. Tocotrienols differ from tocopherols only in having three double bonds in the hydrocarbon chain. CAS:1406-66-2 Wikipedia:Tocopherol Tocopherol tocopherol chebi_ontology Methyltocols Tocopherols tocoferol tocoferoles tocopherols CHEBI:27013 tocopherol tocopherol An element whose atom has an incomplete d sub-shell, or which can give rise to cations with an incomplete d sub-shell. transition element atom A disaccharide formed by a (1<->1)-glycosidic bond between two units of D-glucose. 0 C12H22O11 InChI=1S/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11?,12?/m1/s1 HDTRYLNUVZCQOY-MFAKQEFJSA-N 342.29650 342.11621 OC[C@H]1OC(OC2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O chebi_ontology CHEBI:27082 trehalose trehalose An oxoacid containing three carboxy groups. tricarboxylic acid trihydroxybenzoic acid trimethylxanthine A chemical compound containing three hydroxy groups. triol Tryptamine and its substitution derivatives. tryptamines organic heterobicyclic compound Any fatty acid containing at least one C=C or C#C bond. unsaturated fatty acid A branched-chain amino acid that consists of glycine in which one of the hydrogens attached to the alpha-carbon is substituted by an isopropyl group. 0 C5H11NO2 InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8) KZSNJWFQEVHDMF-UHFFFAOYSA-N 117.14638 117.07898 CC(C)C(N)C(O)=O Beilstein:506689 CAS:516-06-3 Gmelin:49877 KEGG:C16436 PMID:17190852 PMID:22770225 Reaxys:506689 Wikipedia:Valine valine chebi_ontology 2-amino-3-methylbutanoic acid DL-valine Hval Valin valina CHEBI:27266 valine valine An epoxycarotenol that is 5,5',6,6'-tetrahydro-5,6:5',6'-diepoxy-beta,beta-carotene substituted by hydroxy groups at positions 3 and 3'. It is the naturally occurring xanthophyll pigment found in a variety of plants. 0 C40H56O4 600.872 600.41786 chebi_ontology CHEBI:27295 violaxanthin violaxanthin Any member of a group of fat-soluble hydroxy seco-steroids that exhibit biological activity against vitamin D deficiency. Vitamin D can be obtained from sun exposure, food and supplements and is biologically inactive and converted into the biologically active calcitriol via double hydroxylation in the body. vitamin d http://langual.org MetaCyc:Vitamin-D Wikipedia:Vitamin_D http://www.langual.org/langual_thesaurus.asp?termid=B3752 chebi_ontology D vitamins vitamin D vitamer vitamin D vitamers vitamin Ds vitamins D CHEBI:27300 vitamin D vitamin D Any member of the group of pyridines that exhibit biological activity against vitamin B6 deficiency. Vitamin B6 deficiency is associated with microcytic anemia, electroencephalographic abnormalities, dermatitis with cheilosis (scaling on the lips and cracks at the corners of the mouth) and glossitis (swollen tongue), depression and confusion, and weakened immune function. Vitamin B6 consists of the vitamers pyridoxine, pyridoxal, and pyridoxamine and their respective 5'-phosphate esters (and includes their corresponding ionized and salt forms). vitamin b6 http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=B3759 Vitamin B6 chebi_ontology vitamin B-6 vitamin B6 vitamer vitamin B6 vitamers vitamina B6 vitamine B6 vitamins B6 CHEBI:27306 vitamin B6 vitamin B6 A subclass of carotenoids consisting of the oxygenated carotenes. DrugBank:DB00137 xanthophylls chebi_ontology xanthophylls CHEBI:27325 xanthophyll xanthophyll 0 Zn InChI=1S/Zn HCHKCACWOHOZIP-UHFFFAOYSA-N 65.39000 63.92914 [Zn] CAS:7440-66-6 Gmelin:16321 KEGG:C00038 PDBeChem:ZN WebElements:Zn zinc chebi_ontology 30Zn Zink Zn Zn(II) Zn2+ cinc zinc zincum CHEBI:27363 zinc atom zinc atom zinc molecular entity A linolenic acid with cis-double bonds at positions 9, 12 and 15. Shown to have an antithrombotic effect. 0 C18H30O2 InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9- DTOSIQBPPRVQHS-PDBXOOCHSA-N 278.42960 278.22458 CC\C=C/C\C=C/C\C=C/CCCCCCCC(O)=O CHEBI:10298 CHEBI:22462 CHEBI:43891 Beilstein:1727693 CAS:463-40-1 DrugBank:DB00132 Drug_Central:4618 Gmelin:57558 HMDB:HMDB0001388 KEGG:C06427 KNApSAcK:C00007247 LIPID_MAPS_instance:LMFA01030152 MetaCyc:LINOLENIC_ACID PDBeChem:LNL PMID:10232625 PMID:11304127 PMID:19269799 PMID:24320056 PMID:24639012 PMID:24855655 Reaxys:1727693 Wikipedia:Alpha-Linolenic_acid (9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid ALPHA-LINOLENIC ACID alpha-Linolenic acid alpha-linolenic acid chebi_ontology (9,12,15)-linolenic acid (9Z,12Z,15Z)-Octadecatrienoic acid (Z,Z,Z)-9,12,15-octadecatrienoic acid 9,12,15-Octadecatrienoic acid 9-cis,12-cis,15-cis-octadecatrienoic acid ALA all-cis-9,12,15-octadecatrienoic acid alpha-linolenic acid cis,cis,cis-9,12,15-octadecatrienoic acid cis-Delta(9,12,15)-octadecatrienoic acid linolenic acid CHEBI:27432 alpha-linolenic acid α-linolenic acid An N-acyl-amino acid that is a form of the water-soluble vitamin B9. Its biologically active forms (tetrahydrofolate and others) are essential for nucleotide biosynthesis and homocysteine remethylation. folic acid http://langual.org 0 C19H19N7O6 InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t12-/m0/s1 OVBPIULPVIDEAO-LBPRGKRZSA-N 441.39750 441.13968 Nc1nc2ncc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)nc2c(=O)[nH]1 CHEBI:24075 CHEBI:42610 CHEBI:5140 CHEBI:569217 AGR:IND606960789 Beilstein:100781 CAS:59-30-3 Chemspider:5815 DrugBank:DB00158 Drug_Central:1231 FooDB:FDB014504 HMDB:HMDB0000121 KEGG:C00504 KEGG:D00070 KNApSAcK:C00001539 LINCS:LSM-5355 MetaCyc:CPD-12826 PDBeChem:FOL PMID:10138938 PMID:10897644 PMID:10958818 PMID:11261364 PMID:11451208 PMID:11959400 PMID:14387833 PMID:15321809 PMID:15523939 PMID:15754725 PMID:15797531 PMID:15797685 PMID:15831910 PMID:15990733 PMID:16093404 PMID:16277678 PMID:16380297 PMID:16871332 PMID:17784727 PMID:18788725 PMID:19121630 PMID:19335717 PMID:19355913 PMID:24650098 PMID:33624660 PMID:33965562 PMID:33968971 PMID:34207319 PMID:34219855 PMID:7738698 PMID:8235383 PMID:9040515 PMID:9420019 PMID:9565830 PMID:9683174 PMID:9781393 PMID:9808640 PMID:9808641 Reaxys:100781 Wikipedia:Folic_Acid http://www.langual.org/langual_thesaurus.asp?termid=B3760 N-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoyl)-L-glutamic acid chebi_ontology (2S)-2-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzamido)pentanedioic acid Acfol Folate Folicet Folsaeure N-[(4-{[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino}phenyl)carbonyl]-L-glutamic acid N-pteroyl-L-glutamic acid PGA PteGlu acide folique acido folico acidum folicum b9 folate folic acid pteroyl-L-glutamic acid pteroyl-L-monoglutamic acid pteroylglutamic acid pteroylmonoglutamic acid vitamin B11 vitamin B9 vitamin Bc vitamin Be vitamin M CHEBI:27470 LanguaL curation note: Used when folic acid is added at any level. Always use this term for enriched flour or rice, enriched bakery products, and enriched macaroni or noodle products. (21 CFR 137. 610(a), 21 CFR 136.115(a)(1), and others). folic acid folic acid An anthocyanin cation that is cyanidin(1+) carrying a single beta-D-galactosyl substituent at position 3. +1 C21H21O11 InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/p+1/t16-,17+,18+,19-,21-/m1/s1 RKWHWFONKJEUEF-WVXKDWSHSA-O 449.38430 449.10784 OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@H]1O CHEBI:23428 CHEBI:3973 Beilstein:3920159 KEGG:C08647 KNApSAcK:C00006652 PMID:19351112 PMID:21302942 PMID:22739086 PMID:23215441 Reaxys:3920159 3-(beta-D-galactopyranosyloxy)-3',4',5,7-tetrahydroxyflavylium chebi_ontology Cyanidin 3-O-galactoside CHEBI:27475 cyanidin 3-O-beta-D-galactoside cyanidin 3-O-β-D-galactoside 0 C21H20O10 InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-5-13(24)16-14(6-11)29-8-12(17(16)25)9-1-3-10(23)4-2-9/h1-6,8,15,18-24,26-28H,7H2/t15-,18-,19+,20-,21-/m1/s1 ZCOLJUOHXJRHDI-CMWLGVBASA-N 432.37750 432.10565 OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)occ(-c2ccc(O)cc2)c3=O)[C@H](O)[C@@H](O)[C@@H]1O CHEBI:24205 CHEBI:5303 CAS:529-59-9 KEGG:C09126 KNApSAcK:C00002528 5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside Genistein 7-O-beta-D-glucoside chebi_ontology 4',5,7-trihydroxyisoflavone 7-D-glucoside Genistein Genistein 7-glucoside Genisteol 7-monoglucoside Genistin Genistine Genistoside genistin CHEBI:27514 genistein 7-O-beta-D-glucoside genistein 7-O-β-D-glucoside 0 C40H56O2 InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-24,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m1/s1 JKQXZKUSFCKOGQ-QAYBQHTQSA-N 568.87144 568.42803 CC(\C=C\C=C(C)\C=C\C1=C(C)C[C@@H](O)CC1(C)C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C CHEBI:10108 CHEBI:27361 Beilstein:2068416 CAS:144-68-3 KEGG:C06098 KNApSAcK:C00000931 LIPID_MAPS_instance:LMPR01070261 MetaCyc:CPD1F-130 Wikipedia:Zeaxanthin (3R,3'R)-beta,beta-carotene-3,3'-diol Zeaxanthin chebi_ontology (3R,3'R)-dihydroxy-beta,beta-carotene all-trans-beta-carotene-3,3'-diol all-trans-zeaxanthin anchovyxanthin beta,beta-carotene-3,3'-diol CHEBI:27547 zeaxanthin zeaxanthin A dihydroxyflavanone that is flavanone substituted by hydroxy groups at positions 5 and 7 and a methoxy group at position 4' (the 2S stereoisomer). 0 C16H14O5 InChI=1S/C16H14O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1 HMUJXQRRKBLVOO-AWEZNQCLSA-N 286.27940 286.08412 COc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1 CHEBI:1733 CHEBI:20258 CAS:480-43-3 KEGG:C05334 KNApSAcK:C00000973 LIPID_MAPS_instance:LMPK12140355 PMID:17401997 PMID:17880032 PMID:21384439 PMID:21864313 Reaxys:91627 Wikipedia:Isosakuranetin (2S)-5,7-dihydroxy-2-(4-methoxyphenyl)-2,3-dihydro-4H-chromen-4-one chebi_ontology (S)-2,3-dihydro-5,7-dihydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one 4'-Methylnaringenin Isosakuranetin isosakuranetin naringenin 4'-methyl ether CHEBI:27552 4'-methoxy-5,7-dihydroxyflavanone 4'-methoxy-5,7-dihydroxyflavanone 0 B InChI=1S/B ZOXJGFHDIHLPTG-UHFFFAOYSA-N 10.81100 11.00930 [B] CHEBI:22915 CHEBI:3152 CAS:7440-42-8 KEGG:C06266 WebElements:B boron chebi_ontology 5B B Bor Boron boracium bore boro boron CHEBI:27560 boron atom boron atom 0 As InChI=1S/As RQNWIZPPADIBDY-UHFFFAOYSA-N 74.92160 74.92159 [As] CHEBI:22630 CHEBI:2845 CAS:7440-38-2 KEGG:C06269 WebElements:As arsenic chebi_ontology 33As Arsen Arsenic As arsenic arsenico arsenicum CHEBI:27563 arsenic atom arsenic atom A trihydroxyflavanone having a structure of naringenin prenylated at C-6. 0 C20H20O5 InChI=1S/C20H20O5/c1-11(2)3-8-14-15(22)9-18-19(20(14)24)16(23)10-17(25-18)12-4-6-13(21)7-5-12/h3-7,9,17,21-22,24H,8,10H2,1-2H3/t17-/m0/s1 YHWNASRGLKJRJJ-KRWDZBQOSA-N 340.36980 340.13107 CC(C)=CCc1c(O)cc2O[C@@H](CC(=O)c2c1O)c1ccc(O)cc1 CHEBI:20756 CHEBI:2234 CAS:68236-13-5 KNApSAcK:C00000997 Reaxys:6233280 chebi_ontology (2S)-2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one sophoraflavanone B CHEBI:27566 6-prenylnaringenin 6-prenylnaringenin 0 Se InChI=1S/Se BUGBHKTXTAQXES-UHFFFAOYSA-N 78.96000 79.91652 [Se] CHEBI:26627 CHEBI:9091 CAS:7782-49-2 DrugBank:DB11135 FooDB:FDB013400 HMDB:HMDB0001349 KEGG:C01529 WebElements:Se Wikipedia:Selenium selenium chebi_ontology 34Se Se Selen Selenium selenio selenium CHEBI:27568 selenium atom selenium atom An alpha-amino acid that is propanoic acid bearing an amino substituent at position 2 and a 1H-imidazol-4-yl group at position 3. 0 C6H9N3O2 InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11) HNDVDQJCIGZPNO-UHFFFAOYSA-N 155.15468 155.06948 NC(Cc1c[nH]cn1)C(O)=O CHEBI:24598 CHEBI:43118 CHEBI:5733 Beilstein:84087 CAS:4998-57-6 Gmelin:3656 KEGG:C00768 KNApSAcK:C00001363 PMID:17190852 PMID:22264337 PMID:22770225 PMID:29286160 Reaxys:84087 Wikipedia:Histidine 2-amino-3-(1H-imidazol-4-yl)propanoic acid Histidine histidine chebi_ontology DL-Histidine Histidin alpha-Amino-1H-imidazole-4-propionic acid histidina CHEBI:27570 histidine histidine A proanthocyanidin obtained by the condensation of (-)-epicatechin and (+)-catechin units. 0 C30H26O12 InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28-,29-/m1/s1 XFZJEEAOWLFHDH-VUGKQVTMSA-N 578.52020 578.14243 O[C@@H]1Cc2c(O)cc(O)c([C@H]3[C@H](O)[C@H](Oc4cc(O)cc(O)c34)c3ccc(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1 CHEBI:26268 CHEBI:8447 CAS:29106-51-2 HMDB:HMDB0013690 KEGG:C10238 KNApSAcK:C00002935 LIPID_MAPS_instance:LMPK12030004 PMID:17638329 PMID:17851427 PMID:22253995 PMID:22320845 Patent:US2010047372 Patent:WO2010021935 Reaxys:3647174 Wikipedia:Procyanidin_B4 (2R,2'R,3S,3'R,4S)-2,2'-bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-2H,2'H-4,8'-bichromene-3,3',5,5',7,7'-hexol Procyanidin B4 chebi_ontology catechin-(4alpha->8)-epicatechin CHEBI:27589 procyanidin B4 procyanidin B4 A methyl ketone that is acetone in which one of the methyl groups has been replaced by a phenyl group. 0 C8H8O InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3 KWOLFJPFCHCOCG-UHFFFAOYSA-N 120.14852 120.05751 CC(=O)c1ccccc1 CHEBI:22186 CHEBI:2403 CHEBI:40490 CAS:98-86-2 DrugBank:DB04619 HMDB:HMDB0033910 KEGG:C07113 KNApSAcK:C00002685 PMID:10397882 PMID:24634568 UM-BBD_compID:c0117 Wikipedia:Acetophenone 1-phenylethan-1-one Acetophenone acetophenone chebi_ontology 1-Phenylethanone 1-phenylethanone Acetylbenzene Methyl phenyl ketone Phenyl methyl ketone benzoyl methide CHEBI:27632 acetophenone acetophenone A cobalt group element atom that has atomic number 27. 0 Co InChI=1S/Co GUTLYIVDDKVIGB-UHFFFAOYSA-N 58.93320 58.93319 [Co] CHEBI:23335 CHEBI:3788 CAS:7440-48-4 KEGG:C00175 KEGG:C19171 PDBeChem:3CO WebElements:Co cobalt chebi_ontology 27Co Co Cobalt Kobalt cobalt cobalto cobaltum CHEBI:27638 cobalt atom cobalt atom A heteroglycan consisting of a mannan backbone with galactose side groups. CHEBI:24146 CHEBI:5255 PMID:1375195 PMID:2426444 chebi_ontology CHEBI:27680 galactomannan galactomannan A member of the class of phytosterols that is stigmast-5-ene substituted by a beta-hydroxy group at position 3. 0 C29H50O InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1 KZJWDPNRJALLNS-VJSFXXLFSA-N 414.70670 414.38617 [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@@H](CC)C(C)C CHEBI:26692 CHEBI:9170 Beilstein:1916156 CAS:83-46-5 Drug_Central:2451 KEGG:C01753 KEGG:D08518 KNApSAcK:C00003672 KNApSAcK:C00023770 LIPID_MAPS_instance:LMST01040129 PMID:20525330 PMID:23199991 PMID:23215694 PMID:23250922 PMID:23266618 PMID:23516045 PMID:23624268 Sitosterol stigmast-5-en-3beta-ol chebi_ontology (-)-beta-Sitosterol (24R)-Ethylcholest-5-en-3beta-ol (24R)-Stigmast-5-en-3beta-ol (24R)-ethylcholest-5-en-3beta-ol (3beta)-Stigmast-5-en-3-ol 22,23-Dihydrostigmasterol 24alpha-Ethylcholesterol Azuprostat Cupreol Nimbosterol Triastonal alpha-Dihydrofucosterol beta-Sitosterin beta-Sitosterol CHEBI:27693 sitosterol sitosterol 0 V InChI=1S/V LEONUFNNVUYDNQ-UHFFFAOYSA-N 50.94150 50.94396 [V] CHEBI:27274 CHEBI:9930 CAS:7440-62-2 KEGG:C06267 WebElements:V vanadium chebi_ontology 23V V Vanadium vanadio vanadium CHEBI:27698 vanadium atom vanadium atom A trimethylxanthine in which the three methyl groups are located at positions 1, 3, and 7. A purine alkaloid that occurs naturally in tea and coffee. 0 C8H10N4O2 InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 RYYVLZVUVIJVGH-UHFFFAOYSA-N 194.19076 194.08038 Cn1cnc2n(C)c(=O)n(C)c(=O)c12 CHEBI:22982 CHEBI:3295 CHEBI:41472 Beilstein:17705 CAS:58-08-2 DrugBank:DB00201 Drug_Central:463 Gmelin:103040 HMDB:HMDB0001847 KEGG:C07481 KEGG:D00528 KNApSAcK:C00001492 LINCS:LSM-2026 MetaCyc:1-3-7-TRIMETHYLXANTHINE PDBeChem:CFF PMID:10510174 PMID:10796597 PMID:10803761 PMID:10822912 PMID:10884512 PMID:10924888 PMID:10983026 PMID:11014293 PMID:11022879 PMID:11209966 PMID:11312039 PMID:11410911 PMID:11431501 PMID:11815511 PMID:11949272 PMID:12397877 PMID:12457274 PMID:12574990 PMID:12915014 PMID:12943586 PMID:14521986 PMID:14607010 PMID:15257305 PMID:15280431 PMID:15681408 PMID:15718055 PMID:15840517 PMID:16143823 PMID:16391865 PMID:16528931 PMID:16644114 PMID:16709440 PMID:16805851 PMID:16856769 PMID:17132260 PMID:17387608 PMID:17508167 PMID:17724925 PMID:17932622 PMID:17957400 PMID:18068204 PMID:18258404 PMID:18421070 PMID:18625110 PMID:18647558 PMID:19007524 PMID:19047957 PMID:19084078 PMID:19088793 PMID:19418355 PMID:19879252 PMID:20164568 PMID:20470411 PMID:22770225 PMID:7441110 PMID:7689104 PMID:8332255 PMID:8347173 PMID:8679661 PMID:9063686 PMID:9067318 PMID:9132918 PMID:9218278 Reaxys:17705 Wikipedia:Caffeine 1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione CAFFEINE Caffeine caffeine caffeine added chebi_ontology 1,3,7-Trimethylxanthine 1,3,7-trimethyl-2,6-dioxopurine 1,3,7-trimethylpurine-2,6-dione 1,3,7-trimethylxanthine 1-methyltheobromine 3,7-Dihydro-1,3,7-trimethyl-1H-purin-2,6-dion 7-methyltheophylline Coffein Koffein Thein anhydrous caffeine cafeina cafeine guaranine mateina methyltheobromine teina theine CHEBI:27732 caffeine caffeine A tetradecenoic acid in which the double bond is at the 9-10 position and has Z configuration. Myristoleic acid has been isolated from Serenoa repens and has cytotoxic and apoptosis-inducing effects. 0 C14H26O2 InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h5-6H,2-4,7-13H2,1H3,(H,15,16)/b6-5- YWWVWXASSLXJHU-WAYWQWQTSA-N 226.35500 226.19328 CCCC\C=C/CCCCCCCC(O)=O CHEBI:25454 CHEBI:7058 Beilstein:1724311 CAS:544-64-9 HMDB:HMDB0002000 KEGG:C08322 KNApSAcK:C00001229 LIPID_MAPS_instance:LMFA01030051 PMID:11304730 PMID:11380153 PMID:19761868 Reaxys:1724311 Wikipedia:Myristoleic_acid (9Z)-tetradec-9-enoic acid Myristoleic acid chebi_ontology (9Z)-Tetradecenoic acid (Z)-Tetradec-9-enoic acid 9-Tetradecenoic acid 9Z-tetradecenoic acid cis-9-tetradecenoic acid cis-Delta(9)-tetradecenoic acid cis-tetradec-9-enoic acid CHEBI:27781 myristoleic acid myristoleic acid hydroxocobalamin http://langual.org http://www.langual.org/langual_thesaurus.asp?termid=B3780 hydroxocobalamin An anthocyanidin cation that is flavylium substituted at positions 3, 3', 4', 5 and 7 by hydroxy groups. +1 C15H11O6 InChI=1S/C15H10O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-6H,(H4-,16,17,18,19,20)/p+1 VEVZSMAEJFVWIL-UHFFFAOYSA-O 287.24420 287.05501 Oc1cc(O)c2cc(O)c([o+]c2c1)-c1ccc(O)c(O)c1 CHEBI:23425 CHEBI:3970 Beilstein:1690254 CAS:13306-05-3 KEGG:C05905 KNApSAcK:C00006614 LIPID_MAPS_instance:LMPK12010002 MetaCyc:CPD-591 PMID:23123597 PMID:23360684 PMID:23375153 PMID:23389674 Reaxys:1690254 Wikipedia:Cyanidin 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromenium chebi_ontology 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-1-Benzopyrylium 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromenylium 3,3',4',5,7-pentahydroxyflavylium 3,5,7,3',4'-Pentahydroxyflavylium Cyanidin Cyanidine Cyanidol cyanidin CHEBI:27843 cyanidin cation cyanidin cation A stilbenol that is stilbene in which the phenyl groups are substituted at positions 3, 5, and 4' by hydroxy groups. resveratrol An alpha-amino acid that is alanine bearing an indol-3-yl substituent at position 3. 0 C11H12N2O2 InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15) QIVBCDIJIAJPQS-UHFFFAOYSA-N 204.22526 204.08988 NC(Cc1c[nH]c2ccccc12)C(O)=O CHEBI:27163 CHEBI:9769 Beilstein:86196 CAS:54-12-6 Gmelin:4532 KEGG:C00806 KNApSAcK:C00001396 LINCS:LSM-36836 PMID:17439666 PMID:22264337 Reaxys:86196 Wikipedia:Tryptophan Tryptophan tryptophan chebi_ontology 2-amino-3-(1H-indol-3-yl)propanoic acid Htrp Trp W alpha-Amino-beta-(3-indolyl)-propionic acid alpha-amino-beta-3-indolepropionic acid beta-3-indolylalanine triptofano tryptophane CHEBI:27897 tryptophan tryptophan pullulan http://langual.org Codex::1204 Europe::1204 http://www.langual.org/langual_thesaurus.asp?termid=B4447 LanguaL curation note: See "food additive" comments. LanguaL term definition: Food additive; technological purpose(s): film-forming agent, glazing agent. pullulan Isoflavone in which the double bond between positions 2 and 3 has been reduced to a single bond. 0 C15H12O2 InChI=1S/C15H12O2/c16-15-12-8-4-5-9-14(12)17-10-13(15)11-6-2-1-3-7-11/h1-9,13H,10H2 RTRZOHKLISMNRD-UHFFFAOYSA-N 224.25460 224.08373 O=C1C(COc2ccccc12)c1ccccc1 CHEBI:24890 CHEBI:6012 Beilstein:1621056 CAS:4737-27-3 KEGG:C01927 3-phenyl-2,3-dihydro-4H-chromen-4-one Isoflavanone chebi_ontology 2,3-dihydro-3-phenyl-4H-1-benzopyran-4-one 3-phenylchroman-4-one CHEBI:27945 isoflavanone isoflavanone Dehydroascorbic acid having the L-configuration. 0 C6H6O6 InChI=1S/C6H6O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-8H,1H2/t2-,5+/m0/s1 SBJKKFFYIZUCET-JLAZNSOCSA-N 174.10824 174.01644 [H][C@@]1(OC(=O)C(=O)C1=O)[C@@H](O)CO CHEBI:21279 CHEBI:21280 CHEBI:6210 Beilstein:84277 CAS:490-83-5 Gmelin:51038 KEGG:C05422 KNApSAcK:C00007380 PMID:15013385 PMID:18813862 PMID:23543734 PMID:9506998 Reaxys:84277 (5R)-5-[(1S)-1,2-dihydroxyethyl]furan-2,3,4(5H)-trione L-Dehydroascorbic acid chebi_ontology DHAA Dehydroascorbic acid L-Dehydroascorbate L-threo-2,3-hexodiulosonic acid, gamma-lactone L-threo-hexo-2,3-diulosono-1,4-lactone dehydro-L-ascorbic acid dehydroascorbic acid oxidized ascorbic acid oxidized vitamin C CHEBI:27956 L-dehydroascorbic acid L-dehydroascorbic acid A 9-octadecenoic acid and the trans-isomer of oleic acid. 0 C18H34O2 InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9+ ZQPPMHVWECSIRJ-MDZDMXLPSA-N 282.46140 282.25588 CCCCCCCC\C=C\CCCCCCCC(O)=O CHEBI:10546 CHEBI:23903 CHEBI:42209 Beilstein:1726543 CAS:112-79-8 Gmelin:171874 HMDB:HMDB0000573 KEGG:C01712 LIPID_MAPS_instance:LMFA01030073 PDBeChem:ELA PMID:10342226 PMID:23601386 PMID:24800387 PMID:8018112 PMID:881948 Reaxys:1726543 Wikipedia:Elaidic_acid (9E)-octadec-9-enoic acid Elaidic acid chebi_ontology (9E)-Octadecenoic acid (E)-Oleic acid 9-OCTADECENOIC ACID 9-Octadecenoic acid, (E)- 9-trans-Octadecenoic acid Acide elaidique D9-trans-Octadecenoic acid Elaidinsaeure Elaidinsaure trans-9-Octadecenoic acid trans-D9-Octadecenoic acid trans-Delta(9)-octadecenoic acid trans-Elaidic acid trans-Oleic acid CHEBI:27997 elaidic acid elaidic acid The most important reserve polysaccharide found in plants. It is a glucan consisting of amylose and amylopectin. CHEBI:26750 CHEBI:26751 CHEBI:9251 CAS:9005-25-8 KEGG:C00369 KEGG:D06507 KEGG:G10545 Wikipedia:Starch Starch chebi_ontology Staerke amidon amylum CHEBI:28017 starch starch An aromatic amino acid that is alanine in which one of the methyl hydrogens is substituted by a phenyl group. 0 C9H11NO2 InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12) COLNVLDHVKWLRT-UHFFFAOYSA-N 165.18918 165.07898 NC(Cc1ccccc1)C(O)=O CHEBI:25984 CHEBI:8089 Beilstein:1910407 CAS:150-30-1 Gmelin:50836 KEGG:C02057 PMID:17439666 PMID:22264337 Reaxys:1910407 Wikipedia:Phenylalanine 2-amino-3-phenylpropanoic acid Phenylalanine phenylalanine chebi_ontology DL-Phenylalanine F PHE Phenylalanin alpha-Amino-beta-phenylpropionic acid fenilalanina CHEBI:28044 phenylalanine phenylalanine A polydisperse highly branched polysaccharide derivative composed of chains of D-glucopyranose residues in alpha(1->4) glycosidic linkage. The chains are joined together by alpha(1->6) glycosidic linkages. A small number of alpha(1->3) glycosidic linkages and some 6-phosphate ester groups also may occur. The branches in amylopectin typically contain 24 to 30 glucose residues. CHEBI:22538 CHEBI:2693 CAS:9037-22-3 KEGG:C00317 Amylopectin chebi_ontology CHEBI:28057 amylopectin amylopectin A rutinoside consisting of cyanidin having the rutinosyl group at the 3-position. +1 C27H31O15 InChI=1S/C27H30O15/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31)/p+1/t9-,18+,19-,20+,21+,22-,23+,24+,26+,27+/m0/s1 USNPULRDBDVJAO-FXCAAIILSA-O 595.52604 595.16575 C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O CHEBI:23430 CHEBI:3975 Drug_Central:3975 KEGG:C08620 KNApSAcK:C00002376 Reaxys:1838004 Wikipedia:Antirrhinin 2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenium-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside Cyanidin 3-O-rutinoside chebi_ontology Cyanidin 3-O-rhamnosylglucoside Cyanidin 3-rhamnoglucoside CHEBI:28064 cyanidin 3-O-rutinoside cyanidin 3-O-rutinoside A chromium group element atom that has atomic number 24. 0 Cr InChI=1S/Cr VYZAMTAEIAYCRO-UHFFFAOYSA-N 51.99610 51.94051 [Cr] CHEBI:23235 CHEBI:3678 CAS:7440-47-3 KEGG:C06268 WebElements:Cr chromium chebi_ontology 24Cr Chrom Chromium Cr chrome chromium cromo CHEBI:28073 chromium atom chromium atom 7-Hydroxyisoflavone with additional hydroxy groups at positions 5 and 4'. It is a phytoestrogenic isoflavone with antioxidant properties. 0 C15H10O5 InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H TZBJGXHYKVUXJN-UHFFFAOYSA-N 270.23690 270.05282 Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O CHEBI:24204 CHEBI:42763 CHEBI:5302 Beilstein:263823 CAS:446-72-0 DrugBank:DB01645 KEGG:C06563 KNApSAcK:C00002526 LINCS:LSM-5549 MetaCyc:CPD-3141 PDBeChem:GEN PMID:10741415 PMID:11564287 PMID:18413741 PMID:18490856 PMID:18815740 PMID:19107852 PMID:19402570 PMID:22303062 PMID:24297371 PMID:24379139 PMID:28166217 Reaxys:263823 Wikipedia:Genistein 5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one GENISTEIN Genistein chebi_ontology 4',5,7-trihydroxyisoflavone 5,7,4'-Trihydroxyisoflavone 5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one Prunetol Sophoricol CHEBI:28088 genistein genistein A glucan composed of unbranched chains of D-glucopyranose residues in alpha(1->4) glycosidic linkage. The number of repeated glucose subunits (n) is usually in the range of 300 to 3000, but can be many thousands. One of the two components of starch (the other, 70-80%, being amylopectin). Cf. linear maltodextrin, in which the chain length is typically between 3 and 17 glucose units. 0 (C6H10O5)nH2O CHEBI:22539 CHEBI:2694 CAS:9005-82-7 HMDB:HMDB0003403 KEGG:C00718 KEGG:D02329 KEGG:G10495 PMID:24162153 PMID:24299760 PMID:24491702 PMID:24505384 Reaxys:8194785 Wikipedia:Amylose (1->4)-alpha-D-glucopyranan Amylose chebi_ontology (1,4-alpha-D-Glucosyl)n (1,4-alpha-D-Glucosyl)n+1 (1,4-alpha-D-Glucosyl)n-1 1,4-alpha-D-Glucan 4-{(1,4)-alpha-D-Glucosyl}(n-1)-D-glucose Amylose chain CHEBI:28102 amylose amylose Chemical element (nickel group element atom) with atomic number 28. 0 Ni InChI=1S/Ni PXHVJJICTQNCMI-UHFFFAOYSA-N 58.69340 57.93534 [Ni] CHEBI:25515 CHEBI:7552 CAS:7440-02-0 Gmelin:16229 KEGG:C00291 PMID:12756270 PMID:14634084 PMID:14734778 PMID:15165199 PMID:19828094 PMID:20477134 PMID:22762130 PMID:23142754 PMID:23317102 PMID:23692032 PMID:23692035 PMID:23723488 PMID:23834453 PMID:23857010 PMID:23895079 PMID:23909687 PMID:9060994 PMID:9886425 Reaxys:4122946 WebElements:Ni Wikipedia:Nickel nickel chebi_ontology 28Ni Ni Nickel Raney alloy niccolum nickel niquel CHEBI:28112 nickel atom nickel atom A dihydroxyflavanone in which the two hydroxy groups are located at positions 5 and 7. A natural product found in Piper sarmentosum and Cryptocarya chartacea. 0 C15H12O4 InChI=1S/C15H12O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-7,13,16-17H,8H2/t13-/m0/s1 URFCJEUYXNAHFI-ZDUSSCGKSA-N 256.25340 256.07356 Oc1cc(O)c2C(=O)C[C@H](Oc2c1)c1ccccc1 CHEBI:26139 CHEBI:69684 CHEBI:75100 CHEBI:8221 CAS:480-39-7 HMDB:HMDB0030808 KEGG:C09827 KNApSAcK:C00000992 LINCS:LSM-4126 LIPID_MAPS_instance:LMPK12140214 MetaCyc:CPD-6991 PMID:21973101 PMID:22050318 PMID:23179089 PMID:23212747 PMID:23594163 PMID:23611777 PMID:23669639 PMID:23697399 PMID:23725831 PMID:23725838 PMID:23847074 Reaxys:88951 Wikipedia:Pinocembrin (2S)-5,7-dihydroxy-2-phenyl-2,3-dihydro-4H-chromen-4-one chebi_ontology (2S)-pinocembrin (S)-2,3-Dihydro-5,7-dihydroxy-2-phenyl-4H-1-benzopyran-4-one (S)-5,7-dihydroxyflavanone (S)-pinocembrin 5,7-Dihydroxyflavanone Dihydrochrysin Galangin flavanone CHEBI:28157 pinocembrin pinocembrin A member of the class of 7-hydroxyisoflavones that is 7-hydroxyisoflavone substituted by an additional hydroxy group at position 4'. 0 C15H10O4 InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H ZQSIJRDFPHDXIC-UHFFFAOYSA-N 254.23750 254.05791 Oc1ccc(cc1)-c1coc2cc(O)ccc2c1=O CHEBI:23558 CHEBI:4306 Beilstein:231523 CAS:486-66-8 HMDB:HMDB0003312 KEGG:C10208 KNApSAcK:C00009380 LINCS:LSM-2935 LIPID_MAPS_instance:LMPK12050038 MetaCyc:DAIDZEIN PMID:11193416 PMID:16802696 PMID:23267126 PMID:23337939 PMID:23342971 PMID:23439294 PMID:9544566 Reaxys:231523 Wikipedia:Daidzein 7-hydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one Daidzein chebi_ontology 4',7-dihydroxyisoflavone 7,4'-dihydroxyisoflavone 7-Hydroxy-3-(4-hydroxyphenyl)-4-benzopyrone 7-hydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one daidzeol isoaurostatin CHEBI:28197 daidzein daidzein A trihydroxyflavanone having the three hydroxy gropus located at the 3'-, 5- and 7-positions and an additional methoxy substituent at the 4'-position. 0 C16H14O6 InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1 AIONOLUJZLIMTK-AWEZNQCLSA-N 302.27880 302.07904 COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1 CHEBI:24529 CHEBI:5681 Beilstein:92705 CAS:520-33-2 DrugBank:DB01094 Drug_Central:1362 HMDB:HMDB0005782 KEGG:C01709 KNApSAcK:C00000968 LINCS:LSM-20933 LIPID_MAPS_instance:LMPK12140003 MetaCyc:CPD-7072 PMID:16964766 PMID:22409373 PMID:22794525 PMID:22899565 PMID:22903244 Reaxys:92705 Wikipedia:Hesperetin (2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydro-4H-chromen-4-one Hesperetin chebi_ontology (-)-(S)-hesperetin (-)-hesperetin (2S)-hesperetin (S)-2,3-dihydro-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one 3',5,7-Trihydroxy-4'-methoxyflavanone CHEBI:28230 hesperetin hesperetin An aldohexose that is the C-4 epimer of glucose. galactose http://langual.org 0 C6H12O6 180.156 180.06339 CHEBI:24162 CHEBI:33933 CHEBI:5256 CAS:26566-61-0 KEGG:C01582 Wikipedia:Galactose http://www.langual.org/langual_thesaurus.asp?termid=C0254 Galactose galacto-hexose galactose chebi_ontology Gal Galaktose galactose, d- CHEBI:28260 galactose galactose An alpha-amino acid that consists of butyric acid bearing an amino substituent at position 2 and a carbamoyl substituent at position 4. 0 C5H10N2O3 InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10) ZDXPYRJPNDTMRX-UHFFFAOYSA-N 146.14458 146.06914 NC(CCC(N)=O)C(O)=O CHEBI:24316 CHEBI:5432 Beilstein:1723795 CAS:585-21-7 CAS:6899-04-3 Gmelin:27318 KEGG:C00303 KNApSAcK:C00001359 Reaxys:1723795 Wikipedia:Glutamine Glutamine glutamine chebi_ontology 2,5-diamino-5-oxopentanoic acid 2-Aminoglutaramic acid 2-amino-4-carbamoylbutanoic acid Glutamin Glutaminsaeure-5-amid Hgln glutamic acid gamma-amide CHEBI:28300 glutamine glutamine A phenethylamine alkaloid that is phenethylamine substituted at positions 3, 4 and 5 by methoxy groups. 0 C11H17NO3 InChI=1S/C11H17NO3/c1-13-9-6-8(4-5-12)7-10(14-2)11(9)15-3/h6-7H,4-5,12H2,1-3H3 RHCSKNNOAZULRK-UHFFFAOYSA-N 211.25760 211.12084 COc1cc(CCN)cc(OC)c1OC CHEBI:25202 CHEBI:6776 Beilstein:1374088 CAS:54-04-6 KEGG:C06546 KNApSAcK:C00001419 PMID:14516493 PMID:20890669 PMID:22251567 PMID:22900815 PMID:25036425 Reaxys:1374088 Wikipedia:Mescaline 2-(3,4,5-trimethoxyphenyl)ethanamine Mescaline chebi_ontology 1-amino-2-(3,4,5-trimethoxyphenyl)ethane 3,4,5-trimethoxybenzeneethanamine 3,4,5-trimethoxyphenethylamine 3,4,5-trimethoxyphenylethylamine Mescalin Meskalin TMPEA mescalina mezcalina CHEBI:28346 mescaline mescaline alpha,omega-dicarboxylic acid Any member of a group of fat-soluble 2-methyl-1,4-napthoquinones that exhibit biological activity against vitamin K deficiency. Vitamin K is required for the synthesis of prothrombin and certain other blood coagulation factors. vitamin k http://langual.org CHEBI:10009 CHEBI:27301 CHEBI:27307 CAS:12001-79-5 KEGG:C01628 MetaCyc:CPD-11501 PMID:26413183 PMID:33255760 PMID:34109217 Wikipedia:Vitamin_K http://www.langual.org/langual_thesaurus.asp?termid=B3754 Vitamin K chebi_ontology vitamin K vitamer vitamin K vitamers vitamine K vitamins K CHEBI:28384 vitamin K vitamin K A tetrahydroxyflavanone that is flavanone substituted by hydroxy groups at positions 5, 7, 3' and 4' respectively. 0 C15H12O6 InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1 SBHXYTNGIZCORC-ZDUSSCGKSA-N 288.25220 288.06339 Oc1cc(O)c2C(=O)C[C@H](Oc2c1)c1ccc(O)c(O)c1 CHEBI:23945 CHEBI:4832 CHEBI:49606 Beilstein:92358 CAS:552-58-9 KEGG:C05631 KNApSAcK:C00000960 LIPID_MAPS_instance:LMPK12140002 LIPID_MAPS_instance:LMPK12140432 (2S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydro-4H-chromen-4-one Eriodictyol chebi_ontology (S)-2-(3,4-Dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-4-benzopyrone (S)-eriodictyol Eriodictiol CHEBI:28412 eriodictyol eriodictyol A cyclic carotene with a beta- and an epsilon-ring at opposite ends respectively. 0 C40H56 InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-23,25-28,37H,15-16,24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+ ANVAOWXLWRTKGA-JLTXGRSLSA-N 536.87264 536.43820 CC(\C=C\C=C(C)\C=C\C1C(C)=CCCC1(C)C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C CHEBI:10215 CHEBI:22447 Beilstein:2067408 Beilstein:3227599 CAS:432-70-2 HMDB:HMDB0003993 KEGG:C05433 KNApSAcK:C00003765 LIPID_MAPS_instance:LMPR01070258 PMID:23620017 PMID:24169341