Alpha Tom Kodamullil
Astghik Sargsyan
Bide Zhang
Philipp Wegner
Stephan Gebel
Vanessa Lage-Rupprecht
Alzheimer's Disease Ontology is a knowledge-based ontology that encompasses varieties of concepts related to Alzheimer'S Disease, foundamentally structured by upper level Basic Formal Ontology(BFO). This Ontology is enriched by the interrelational entities that demonstrate the nextwork of the understanding on Alzheimer's disease and can be readily applied for text mining.
Alzheimer's Disease Ontology (ADO)
https://creativecommons.org/licenses/by/4.0/
2.0.0
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
An annotation property that represents an ID used in the NIH LINCS project.
An annotation property that represents an LINCS ID of a cell line.
表示细胞系的LINCS ID的注释属性。
Oliver He, Jiangan Xie
Oliver He, Jiangan Xie
Oliver He, Jiangan Xie, Jie Zheng
Cell line LINCS ID
LINCS ID
细胞系LINCS ID
细胞系LINCS ID
has_RxCUI
IHCC category
IHCC browser label
editor preferred label
editor preferred label
editor preferred term
editor preferred term
editor preferred term~editor preferred label
编辑首选术语
编辑首选标签
The concise, meaningful, and human-friendly name for a class or property preferred by the ontology developers. (US-English)
对于一类或属性的简洁的、有意义的、与人类友好的名称由本体开发商首选。 (美国英语)
PERSON:Daniel Schober
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
editor preferred term~editor preferred label
编辑首选术语
编辑首选术语
编辑首选术语~编辑首选标签
编辑首选标签
编辑首选标签
example
example of usage
A phrase describing how a class name should be used. May also include other kinds of examples that facilitate immediate understanding of a class semantics, such as widely known prototypical subclasses or instances of the class. Although essential for high level terms, examples for low level terms (e.g., Affymetrix HU133 array) are not
A phrase describing how a term should be used and/or a citation to a work which uses it. May also include other kinds of examples that facilitate immediate understanding, such as widely know prototypes or instances of a class, or cases where a relation is said to hold.
PERSON:Daniel Schober
GROUP:OBI:<http://purl.obolibrary.org/obo/obi>
IAO:0000112
uberon
example_of_usage
true
example_of_usage
example of usage
example of usage
has curation status
有管理状态
PERSON:Alan Ruttenberg
PERSON:Bill Bug
PERSON:Melanie Courtot
OBI_0000281
has curation status
has curation status
有管理状态
有管理状态
definition
definition
textual definition
textual definition
定义
A property representing the English language definitions of what NCI means by the concept. They may also include information about the definition's source and attribution in a form that can easily be interpreted by software.
English language definitions of what NCI means by the concept. These are limited to 1024 characters. They may also include information about the definition's source and attribution in a form that can easily be interpreted by software.
OBI的官方定义,解释类或属性的含义。应该是亚里士多德式的,形式化和规范化的。 可以通过口语定义进行扩充。
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.
The official definition, explaining the meaning of a class or property. Shall be Aristotelian, formalized and normalized. Can be augmented with colloquial definitions.
官方的定义,解释类或属性的含义。应该是亚里士多德式的,形式化和规范化的。 可以通过口语定义进行扩充。
2012-04-05:
Barry Smith
The official OBI definition, explaining the meaning of a class or property: 'Shall be Aristotelian, formalized and normalized. Can be augmented with colloquial definitions' is terrible.
Can you fix to something like:
A statement of necessary and sufficient conditions explaining the meaning of an expression referring to a class or property.
Alan Ruttenberg
Your proposed definition is a reasonable candidate, except that it is very common that necessary and sufficient conditions are not given. Mostly they are necessary, occasionally they are necessary and sufficient or just sufficient. Often they use terms that are not themselves defined and so they effectively can't be evaluated by those criteria.
On the specifics of the proposed definition:
We don't have definitions of 'meaning' or 'expression' or 'property'. For 'reference' in the intended sense I think we use the term 'denotation'. For 'expression', I think we you mean symbol, or identifier. For 'meaning' it differs for class and property. For class we want documentation that let's the intended reader determine whether an entity is instance of the class, or not. For property we want documentation that let's the intended reader determine, given a pair of potential relata, whether the assertion that the relation holds is true. The 'intended reader' part suggests that we also specify who, we expect, would be able to understand the definition, and also generalizes over human and computer reader to include textual and logical definition.
Personally, I am more comfortable weakening definition to documentation, with instructions as to what is desirable.
We also have the outstanding issue of how to aim different definitions to different audiences. A clinical audience reading chebi wants a different sort of definition documentation/definition from a chemistry trained audience, and similarly there is a need for a definition that is adequate for an ontologist to work with.
2012-04-05:
Barry Smith
OBI的官方定义解释了一个类或属性的含义:'应该是亚里士多德式的,形式化和规范化的。可以用口语定义'是糟糕的。
您能解决这样的问题吗?
解释关于类或属性的表达含义的必要和充分条件的陈述。
Alan Ruttenberg
您提出的定义是一个合理的备选,除非它很常见,没有给出必要和充分的条件。大多数情况下它们是必要的,偶尔是必要的,充分的或者仅仅仅充分的。它们通常使用不是自己定义的术语,因此它们实际上不能通过这些标准进行评估。
关于拟议定义的具体内容:
我们没有“含义”,或“表达”或“属性”的定义。对于在预期意义上的“参考”,我认为我们使用术语“指示”。对于'表达',我认为我们和你的意思是符号,或标识符。对于“含义”,它不同于类和属性。对于类,我们希望文档能够让读者确定一个实体是否是该类的实例。对于属性,让我们的目标读者决定,给定一对潜在的关系,判断关系成立的断言正确与否。 “目标读者”部分表明我们也指定了我们期望的能够理解定义的人,并且概括了人类和计算机读者以包含文本和逻辑定义。
就我个人而言,我更愿意削弱对文档的定义,并指出什么是可取的。
我们还有一个悬而未决的问题,就是如何针对不同的受众定位不同的定义。临床读者阅读chebi需要来自受过化学训练的受众的不同类型的定义文档/定义,同样需要一个适合本体工作者的定义。
2012-04-05:
Barry Smith
The official OBI definition, explaining the meaning of a class or property: 'Shall be Aristotelian, formalized and normalized. Can be augmented with colloquial definitions' is terrible.
Can you fix to something like:
A statement of necessary and sufficient conditions explaining the meaning of an expression referring to a class or property.
Alan Ruttenberg
Your proposed definition is a reasonable candidate, except that it is very common that necessary and sufficient conditions are not given. Mostly they are necessary, occasionally they are necessary and sufficient or just sufficient. Often they use terms that are not themselves defined and so they effectively can't be evaluated by those criteria.
On the specifics of the proposed definition:
We don't have definitions of 'meaning' or 'expression' or 'property'. For 'reference' in the intended sense I think we use the term 'denotation'. For 'expression', I think we you mean symbol, or identifier. For 'meaning' it differs for class and property. For class we want documentation that let's the intended reader determine whether an entity is instance of the class, or not. For property we want documentation that let's the intended reader determine, given a pair of potential relata, whether the assertion that the relation holds is true. The 'intended reader' part suggests that we also specify who, we expect, would be able to understand the definition, and also generalizes over human and computer reader to include textual and logical definition.
Personally, I am more comfortable weakening definition to documentation, with instructions as to what is desirable.
We also have the outstanding issue of how to aim different definitions to different audiences. A clinical audience reading chebi wants a different sort of definition documentation/definition from a chemistry trained audience, and similarly there is a need for a definition that is adequate for an ontologist to work with.
PERSON:Daniel Schober
DEFINITION
GROUP:OBI:<http://purl.obolibrary.org/obo/obi>
no
DEFINITION
definition
definition
textual definition
textual definition
定义
定义
文本定义
文本定义
editor note
编者注
An administrative note intended for its editor. It may not be included in the publication version of the ontology, so it should contain nothing necessary for end users to understand the ontology.
管理者注释用于其编辑器。它可能不包含在本体的出版版本中,所以它应该不包含最终用户了解本体所需的信息。
PERSON:Daniel Schober
GROUP:OBI:<http://purl.obfoundry.org/obo/obi>
GROUP:OBI:<http://purl.obofoundry.org/obo/obi>
IAO:0000116
IAO:0000116
uberon
uberon
editor_note
editor_note
编辑_注释
true
editor_note
editor_note
编辑_注释
IAO:0000116
IAO:0000116
uberon
uberon
editor_note
editor_note
1
true
editor_note
editor_note
editor note
editor note
编者注
编者注
IAO:0000116
definition editor
term editor
术语编辑者
Name of editor entering the definition in the file. The definition editor is a point of contact for information regarding the term. The definition editor may be, but is not always, the author of the definition, which may have been worked upon by several people
Name of editor entering the term in the file. The term editor is a point of contact for information regarding the term. The term editor may be, but is not always, the author of the definition, which may have been worked upon by several people
输入文件中术语编辑者的名称。术语编辑者是有关术语的信息交汇点。术语编辑者可以是,但并不总是,定义的作者,这可能是由几个人完成
20110707, MC: label update to term editor and definition modified accordingly. See http://code.google.com/p/information-artifact-ontology/issues/detail?id=115.
20110707, MC: label update to term editor and definition modified accordingly. See https://github.com/information-artifact-ontology/IAO/issues/115.
20110707,MC:术语编辑和定义进行相应的修改。见http://code.google.com/p/information-artifact-ontology/issues/detail?id=115。
PERSON:Daniel Schober
GROUP:OBI:<http://purl.obolibrary.org/obo/obi>
definition editor
definition editor
definition_editor
term editor
term editor
术语编辑者
术语编辑者
alternative term
替代术语
An alternative name for a class or property which means the same thing as the preferred name (semantically equivalent)
一类或属性的替代名称,这意味着与所述首选名称同样的事物(语义上等价)
PERSON:Daniel Schober
GROUP:OBI:<http://purl.obolibrary.org/obo/obi>
alternative term
alternative term
替代术语
替代术语
definition source
定义来源
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
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
正式引用,例如在外部数据库中的标识符,用于表示/定义的属性源(S)。自由文本表示/为定义属性源(S)。实例:在2007年1月31日的作者姓名,URI,MeSH术语C04,PUBMEDID,维基uri
PERSON:Daniel Schober
Discussion on obo-discuss mailing-list, see http://bit.ly/hgm99w
Discussion on obo-discuss mailing-list, see http://bit.ly/hgm99w
GROUP:OBI:<http://purl.obolibrary.org/obo/obi>
论OBO-讨论邮件-列表,请参阅http://bit.ly/hgm99w
definition source
definition source
definition_source
定义来源
定义来源
curator note
An administrative note of use for a curator but of no use for a user
PERSON:Alan Ruttenberg
IAO:0000232
uberon
curator_notes
1
true
curator_notes
curator note
curator note
curator notes
IAO:0000233
external
term_tracker_item
true
true
term_tracker_item
term tracker item
imported from
引自
For external terms/classes, the ontology from which the term was imported
外部术语/类,术语引入的本体
PERSON:Alan Ruttenberg
PERSON:Melanie Courtot
GROUP:OBI:<http://purl.obolibrary.org/obo/obi>
imported from
imported from
引自
引自
expand assertion to
OBO foundry unique label
An alternative name for a class or property which is unique across the OBO Foundry.
The intended usage of that property is as follow: OBO foundry unique labels are automatically generated based on regular expressions provided by each ontology, so that SO could specify unique label = 'sequence ' + [label], etc. , MA could specify 'mouse + [label]' etc. Upon importing terms, ontology developers can choose to use the 'OBO foundry unique label' for an imported term or not. The same applies to tools .
The intended usage of that property is as follow: OBO foundry unique labels are automatically generated based on regular expressions provided by each ontology, so that SO could specify unique label = 'sequence ' + [label], etc. , MA could specify 'mouse + [label]' etc. Upon importing terms, ontology developers can choose to use the 'OBO foundry unique label' for an imported term or not. The same applies to tools .
PERSON:Alan Ruttenberg
PERSON:Bjoern Peters
PERSON:Chris Mungall
PERSON:Melanie Courtot
GROUP:OBO Foundry <http://obofoundry.org/>
OBO foundry unique label
elucidation
person:Alan Ruttenberg
Person:Barry Smith
Primitive terms in a highest-level ontology such as BFO are terms which are so basic to our understanding of reality that there is no way of defining them in a non-circular fashion. For these, therefore, we can provide only elucidations, supplemented by examples and by axioms
elucidation
has associated axiom(nl)
Person:Alan Ruttenberg
Person:Alan Ruttenberg
An axiom associated with a term expressed using natural language
has associated axiom(nl)
has associated axiom(fol)
Person:Alan Ruttenberg
Person:Alan Ruttenberg
An axiom expressed in first order logic using CLIF syntax
has associated axiom(fol)
Cooper Stansbury
This annotation property specifies classes that were developed as part of an alignment effort between the Common Rule Ontology and the Informed Consent Ontology in the Summer of 2018. These classes represent entities that are necessary for understanding the regularatory frameworks that influence informed consent, often at a different level of granularity than individual consent processes. These classes were created to be compatible with regulatory frameworks outside the Unitied States, hence they are general.
RUBRIC
an annotation property that lists keyword(s) useful for literature tagging and retrieval of sentences containing the type (or kind) of entity (e.g., interaction) as shown by the ontology term label and definition.
Yongqun He
has literature mining keywords
an annotation property that specifies the dependency pattern of the literature keywords that match to the ontology interaction type.
Arzucan Ozgur, Junguk Hur, Yongqun He
has keyword dependency pattern
An association created to allow the source NICHD to assign a parent to each concept with the intent of creating a hierarchy that includes only terms in which they are a contributing source.
A11
Conceptual Entity
Has_NICHD_Parent
Has_NICHD_Parent
Has_NICHD_Parent
An association that indicates that a finding or lab test is related to a gene, possibly through a variant or product.
A13
Conceptual Entity
Related_To_Genetic_Biomarker
Related_To_Genetic_Biomarker
Related_To_Genetic_Biomarker
An association that indicates a PCDC AML concept is a Permissible Value for a PCDC AML Variable concept.
A24
Conceptual Entity
Is_PCDC_AML_Permissible_Value_For_Variable
Is_PCDC_AML_Permissible_Value_For_Variable
Is_PCDC_AML_Permissible_Value_For_Variable
An association that indicates a PCDC EWS concept is a Permissible Value for a specific PCDC EWS Variable concept.
A28
Conceptual Entity
Is_PCDC_EWS_Permissible_Value_For_Variable
Is_PCDC_EWS_Permissible_Value_For_Variable
Is_PCDC_EWS_Permissible_Value_For_Variable
true
A property representing a concept unique identifier within the NCI Enterprise Vocabulary Service's NCI Thesaurus.
NHC0
Conceptual Entity
code
code
code
A property representing the accession number for a Protein or Gene within the OMIM database.
P100
Conceptual Entity
OMIM Number
OMIM_Number
OMIM_Number
OMIM_Number
A property that represents a description of the sort of thing or category to which a concept belongs in the context of the UMLS semantic network.
The semantic type describes the sort of thing or category to which a concept belongs in the context of the UMLS semantic network.
P106
Conceptual Entity
Semantic Type
Semantic_Type
In general, applying semantic types aids in allowing users (or computer programs) to draw conclusions about concepts by virtue of the categories to which they have been assigned. We use a set of semantic types developed for the UMLS Metathesaurus. There are currently 134 semantic types in the UMLS.
Semantic_Type
Semantic_Type
A property representing an alternative Preferred Name for use in some NCI systems.
Provides an alternative Preferred Name for use in some NCI systems.
P107
Conceptual Entity
Display Name
Display_Name
Display Name
Display_Name
Display_Name
A property representing the word or phrase that NCI uses by preference to refer to the concept.
The word or phrase that NCI uses by preference to refer to the concept.
P108
Conceptual Entity
Preferred Name
Preferred_Name
Preferred Name
Preferred Term
Preferred_Name
Preferred_Name
A property representing the concept unique identifier (CUI) assigned by the National Library of Medicine (NLM). If a concept in any NCI-maintained knowledgebase exists in the NLM Unified Medical Language System (UMLS), NCI includes the NLM CUI among the information we provide about the concept.
Concept Unique Identifiers, or CUIs, are concept numbers assigned by the National Library of Medicine (NLM). If a concept in any NCI-maintained knowledgebase exists in the NLM Unified Medical Language System (UMLS), NCI includes the NLM CUI among the information we provide about the concept.
P207
Conceptual Entity
UMLS CUI
UMLS_CUI
UMLS_CUI
UMLS_CUI
A property representing the concept unique identifier (CUI) for those concepts that appear in NCI Metathesaurus but not in the National Library of Medicine Unified Medical Language System (NLM UMLS).
P208
Conceptual Entity
NCI Metathesaurus CUI
NCI_META_CUI
NCI_META_CUI
NCI_META_CUI
A property representing the Chemical Abstracts Service number for a Chemical or Drug.
P210
Conceptual Entity
CAS Registry Number
CAS_Registry
CAS_Registry
CAS_Registry
A property representing the KEGG ID code for a pathway. It can be used to link a KEGG pathway reference to the primary pathway information.
P215
Conceptual Entity
KEGG ID
KEGG_ID
KEGG_ID
KEGG_ID
A property representing a disease or condition for which this drug is an accepted treatment. Used in the Drug, Food, Chemical or Biomedical Material branch.
P302
Conceptual Entity
Accepted Therapeutic Use For
Accepted_Therapeutic_Use_For
Accepted_Therapeutic_Use_For
Accepted_Therapeutic_Use_For
A property used to indicate the standing of a concept in relation to currently accepted classifications and concepts. In NCI Thesaurus concept status subtype indicates concepts with unusual and problematic characteristics that should be evaluated by people and/or programs before those concept are used.
P310
Conceptual Entity
Concept Status
Concept_Status
Concept_Status
Concept_Status
A property used to flag terms that are part of an FDA data standard manual, including Route of Administration, Dosage Form, Package Type and Potency.
P317
Conceptual Entity
FDA Table
FDA_Table
FDA_Table
FDA_Table
A property representing the FDA Unique Ingredient Identifier, a key component of the federal drug information model.
P319
Conceptual Entity
FDA UNII Code
FDA_UNII_Code
FDA_UNII_Code
FDA_UNII_Code
A property is used to indicate when a non-EVS entity has contributed to, and has a stake in, a concept. This is used where such entities, within or outside NCI, have indicated the need to be able to track their own concepts. A single concept can have multiple instances of this property if multiple entities have such a defined stake.
P322
Conceptual Entity
Contributing Source
Contributing_Source
Contributing_Source
Contributing_Source
A property representing the English language definition of a concept from a source other than NCI.
P325
Conceptual Entity
[source] Definition
ALT_DEFINITION
ALT_DEFINITION
ALT_DEFINITION
A property that is used to establish correspondence between the NCI Thesaurus concept representing a taxon (species) and the NCBI/NLM Species Taxonomy ID assigned by the NCBI to that taxon.
P331
Conceptual Entity
NCBI Taxon ID
NCBI_Taxon_ID
NCBI_Taxon_ID
NCBI_Taxon_ID
A property representing a concise expression about the atoms that constitute a particular chemical compound.
P350
Conceptual Entity
Chemical Formula
Chemical_Formula
CRCH
Chemical Formula
Chemical_Formula
Chemical_Formula
true
A property representing a retired unique concept identifier created and stored as Concept Name by legacy EVS software. Use of these values was long discouraged, but continued as late as 2009 when creation of new values ceased and Concept Name was retired. Legacy values are intended solely to help resolve and update earlier coding.
P366
Conceptual Entity
Legacy Concept Name
Legacy Concept Name
Legacy_Concept_Name
Legacy Concept Name
Legacy_Concept_Name
A property representing that a concept in the 'Drug, Food, Chemical or Biomedical Material' branch of the NCI thesaurus maps to a specific concept in the EBI Chemical Entities of Biological Interest (CHEBI) database.
P368
Conceptual Entity
CHEBI_ID
CHEBI_ID
CHEBI_ID
A property representing that a concept in the 'Gene' branch of the NCI thesaurus maps to a HUGO Gene Nomenclature Committee (HGNC) certified gene.
P369
Conceptual Entity
HGNC_ID
HGNC_ID
HUGO_ID
HGNC_ID
A property representing a term chosen by NICHD to be used in the representation of the NICHD hierarchy.
P371
Conceptual Entity
NICHD_Hierarchy_Term
NICHD
NICHD_Hierarchy_Term
NICHD_Hierarchy_Term
A property representing that a term in another terminology has been mapped to a term in NCIt and describes the relationship between the mapped terms.
P375
Conceptual Entity
Maps_To
Maps_To
Maps_To
A property representing notations made by NCI vocabulary curators. They are intended to provide supplemental, unstructured information to the user or additional insight about the concept.
Design notes are notations made by NCI vocabulary curators. They are intended to provide supplemental, unstructured information to the user or additional insight about the concept.
P98
Conceptual Entity
DesignNote
DesignNote
DesignNote
DesignNote
has_MedDRA_id
ISA alternative term
An alternative term used by the ISA tools project (http://isa-tools.org).
Requested by Alejandra Gonzalez-Beltran
https://sourceforge.net/tracker/?func=detail&aid=3603413&group_id=177891&atid=886178
Person: Alejandra Gonzalez-Beltran
Person: Philippe Rocca-Serra
ISA tools project (http://isa-tools.org)
ISA alternative term
IEDB alternative term
An alternative term used by the IEDB.
PERSON:Randi Vita, Jason Greenbaum, Bjoern Peters
IEDB
IEDB alternative term
the symbol assigned by the nomenclature authority
Oliver He, Yue Liu
symbol from nomenclature authority
the full name assigned by the nomenclature authority
Oliver He, Yue Liu
full name from nomenclature authority
A GeneID in the NCBI Gene database
Oliver He, Yue Liu
NCBI GeneID
the NCBI LocusTag name of a gene
Oliver He, Yue Liu
NCBI LocusTag
the map location of a gene
Oliver He, Yue Liu
gene map location
a date of content modification
Oliver He, Yue Liu
modification date
The NCBITaxon ontology ID of an organism.
Oliver He, Yue Liu
organism NCBITaxon ID
A chromosome ID where a gene is located.
Oliver He
chromosome ID of gene
an annotation property that specifies the type of a gene
Oliver He
type of gene
an annotation property that specifies a nomenclature status
Oliver He
nomenclature status
an annotation property that shows the GO information associated with a specific gene.
Yongqun He
has GO association
An annotation property that represents a gene's association with PubMed publication(s).
Yongqun He
has PubMed association
An annotation property that refers to a code defined by NCIT
NCIT code
tooth SubClassOf 'never in taxon' value 'Aves'
S never_in_taxon T iff: S SubClassOf in_taxon only not T.
x never in taxon T if and only if T is a class, and x does not instantiate the class expression "in taxon some T". Note that this is a shortcut relation, and should be used as a hasValue restriction in OWL.
Chris Mungall
?X DisjointWith RO_0002162 some ?Y
Class: <http://www.w3.org/2002/07/owl#Nothing> EquivalentTo: ?X and (RO_0002162 some ?Y)
RO:0002161
uberon
never_in_taxon
true
true
never_in_taxon
never in taxon
never_in_taxon
S dubious_for_taxon T if it is probably the case that no instances of S can be found in any instance of T.
RO:0002174
uberon
dubious_for_taxon
true
true
dubious_for_taxon
this relation lacks a strong logical interpretation, but can be used in place of never_in_taxon where it is desirable to state that the definition of the class is too strict for the taxon under consideration, but placing a never_in_taxon link would result in a chain of inconsistencies that will take time to resolve. Example: metencephalon in teleost
dubious_for_taxon
S present_in_taxon T if some instance of T has some S. This does not means that all instances of T have an S - it may only be certain life stages or sexes that have S
S present_in_taxon T if some instance of T has some S. This does not means that all instances of T have an S - it may only be certain life stages or sexes that have S.
https://orcid.org/0000-0002-6601-2165
RO:0002175
applicable for taxon
uberon
present_in_taxon
true
true
present_in_taxon
present in taxon
present_in_taxon
logical macro assertion
http://purl.obolibrary.org/obo/ro/docs/shortcut-relations/
logical macro assertion on a property
logical macro assertion on an object property
cjm
2018-03-13T23:59:29Z
is directional form of
cjm
2018-03-14T00:03:16Z
is positive form of
An administrative note of use for a curator but of no use for a user.
no
organizational term
IAO:0000232
editor_notes
curator note
A source from where the formal description was derived. This can be in the form of a link to a relevant webpage, the IRI of a term in an existing ontology, a reference to specific literature, etc.
yes
metadata complete - requires restrictions and relationships
IAO:0000119
definition source
description source
An assertion of whether or not the term/class description is an adaptation of the description in the description source.
Requested inclusion of this property into RO. Check details here again after inclusion.
metadata complete - requires restrictions and relationships
SCDO
description adapted from source
Description inherent in name (not provided by source)
Only label adapted
organizational term
property has curation status
An indication of whether a term/class already exists in other ontologies. Only used for term (descriptions) that were not taken directly from an existing ontology.
SCDO (Jade Hotchkiss)
existence in other ontologies
Used to record the identifier that had been used previously but is no longer in use.
SCDO (Jade Hotchkiss)
previous identifier
an alternative term used for STATO statistical ontology and ISA team
Alejandra Gonzalez-Beltran
Orlaith Burke
Philippe Rocca-Serra
STATO alternative term
An alternate textual definition for a class taken unmodified from an external source. This definition may have been used to derive a generalized definition for the new class.
UBPROP:0000001
uberon
external_definition
true
external_definition
This annotation property may be replaced with an annotation property from an external ontology such as IAO
external_definition
A textual description of an axiom loss in this ontology compared to an external ontology.
UBPROP:0000002
uberon
axiom_lost_from_external_ontology
true
axiom_lost_from_external_ontology
This annotation property may be replaced with an annotation property from an external ontology such as IAO
axiom_lost_from_external_ontology
Notes on the homology status of this class.
UBPROP:0000003
uberon
homology_notes
true
homology_notes
This annotation property may be replaced with an annotation property from an external ontology such as IAO
homology_notes
UBPROP:0000004
uberon
provenance_notes
true
provenance_notes
provenance_notes
Used to connect a class to an adjectival form of its label. For example, a class with label 'intestine' may have a relational adjective 'intestinal'.
UBPROP:0000007
uberon
has_relational_adjective
true
has_relational_adjective
has_relational_adjective
Notes on the how instances of this class vary across species.
UBPROP:0000008
uberon
taxon_notes
true
taxon_notes
taxon_notes
Notes on the structure, composition or histology of instances of this class.
This annotation property may be replaced with an annotation property from an external ontology such as IAO
UBPROP:0000010
uberon
structure_notes
true
structure_notes
structure_notes
Notes on the ontogenic development of instances of this class.
This annotation property may be replaced with an annotation property from an external ontology such as IAO
UBPROP:0000011
uberon
development_notes
true
development_notes
development_notes
Notes on how similar or equivalent classes are represented in other ontologies.
This annotation property may be replaced with an annotation property from an external ontology such as IAO
UBPROP:0000012
uberon
external_ontology_notes
true
external_ontology_notes
external_ontology_notes
FMA has terms like 'set of X'. In general we do not include set-of terms in uberon, but provide a mapping between the singular form and the FMA set term
UBPROP:0000202
uberon
fma_set_term
true
fma_set_term
fma_set_term
Super-property collecting all annotation properties assigning classes in ONS to specific subset (i.e. Metadata search). For each subset, there will be an annotation property. To assign a class to a subset, set the annotation property value to "TRUE"
in subset of ONS
Annotation properties assigning a class to the ONS-subset of metadata search classes. Set value to "TRUE" to assign a class.
in minimal requirement ONS subset
this indicates that the term originates from the Alzheimer Ontology by Fraunhofer SCAI
from Alzheimer Ontology
excluded_from_qc_check
true
excluded from QC check
excluded_subClassOf
true
excluded subClassOf
A metadata relation between a class and its taxonomic rank (eg species, family)
ncbi_taxonomy
has_rank
uberon
dc-contributor
true
dc-contributor
contributor
An entity primarily responsible for making the resource. (This property is used in the SCDO when a term was created by the SCDO Working Group or a curator.) The SCDO uses this especially to apply to term descriptions.
no
ready for release
Examples of a Creator include a person, an organisation,
or a service. Typically, the name of a Creator should
be used to indicate the entity.
An entity primarily responsible for making the content
of the resource.
Creator
dc:creator
Creator
Typically, Date will be associated with the creation or
availability of the resource. Recommended best practice
for encoding the date value is defined in a profile of
ISO 8601 [W3CDTF] and follows the YYYY-MM-DD format.
A date associated with an event in the life cycle of the
resource.
Date
Date
Description may include but is not limited to: an abstract,
table of contents, reference to a graphical representation
of content or a free-text account of the content.
http://purl.org/dc/elements/1.1/description
uberon
dc-description
true
dc-description
An account of the content of the resource.
Description
Description
description
identifier_dc
identifier
relation
uberon
dc-contributor
true
dc-contributor
contributor
is referenced by
relation
ID of merged class.
has_alternative_id
has broad synonym
has_broad_synonym
A database cross-reference. An annotation which directs one to information contained within a database.
A property representing a reference to an identical or very similar object in another database.
Reference database or publication source.
Conceptual Entity
xRef
metadata complete - requires restrictions and relationships
IAO:0100001
SBO:0000554
DbXref
Xref
database cross-reference
database_cross_reference
db xref
hasDbXref
database cross reference
database cross reference
database_cross_reference
database_cross_reference
has database cross reference
xRef
数据库_交叉_引用
数据库_交叉_引用
A property representing a fully qualified synonym, contains the string, term type, source, and an optional source code if appropriate. Each subfield is deliniated to facilitate interpretation by software.
An alias in which the alias exhibits true synonymy. Example: ornithine cycle is an exact synonym of urea cycle.
Exact synonym.
Fully qualified synonym, contains the string, term type, source, and an optional source code if appropriate. Each subfield is deliniated to facilitate interpretation by software.
no
pending vetting by the SCDO developers
IAO:0100001
FULL_SYN
Synonym with Source Data
has exact synonym
hasExactSynonym
has_exact_synonym
has narrow synonym
has_narrow_synonym
Name space of the ontology.
IAO:0100001
disease_ontology
has_obo_namespace
has_obo_namespace
有_obo_命名空间
有_obo_命名空间
Has related synonym.
has related synonym
has_related_synonym
has synonym
An identifier is an information content entity that is the outcome of a dubbing process and is used to refer to one instance of entity shared by a group of people to refer to that individual entity.
id
An association that connects the concept defining a particular terminology subset with concepts that belong to this subset.
In subset.
Used to associate the concept defining a particular terminology subset with concepts that belong to this subset.
Concept_In_Subset
in subset
in_subset
shorthand
IAO:0100001
shorthand
shorthand
Comment.
comment
comment
Is defined by.
is defined by
rdfs:isDefinedBy
label
label
A human readable name for this class.
A human-readable name for the class/term.
yes
A human-readable name for the subject.
label
label
rdfs:label
标签
http://www.w3.org/2000/01/rdf-schema#seeAlso
seeAlso
uberon
seeAlso
true
true
seeAlso
see_also_rdf_schema
see also
see also
seeAlso
equivalent property
A skos concept mapping used to link two concepts, indicating a high degree of confidence that the concepts can be used interchangeably.
has exact match
A preferred label.
yes
pending vetting by the SCDO developers
skos:prefLabel
uberon
depicted_by
true
depicted_by
depicted by
alternate name
library_of_congress_subject_headings
Library of Congress Subject Headings
http://purl.org/dc/terms/LCSH
https://viaf.org/viaf/174475040
library_of_congress_classification
Library of Congress Classification
see_also_wikidata
see also
icd9cm
ICD-9-CM
nci_thesaurus_id
NCI Thesaurus ID
different_from
different from
viaf_id
VIAF ID
medical_dictionary_for_regulatory_activities_id
Medical Dictionary for Regulatory Activities ID
mesh_descriptor_id
Such as C004931 for DPPH or D008180 for systemic lupus erythematosus.
MeSH Descriptor ID
snomed_ct_identifier
SNOMED CT Identifier
The subject describes a clinically approved drug or therapy for a condition (object).
isTreatmentFor
The subject describes as sign/symptom or multiple signs/symptoms for the object.
isSignAndSymptomFor
The subject possesses characteristics leading to an increased risk in developing a certain phenotype or condition (object). The example of risk factors could be age, family history, consumption of certain products, being exposed to chemicals or radiations, having certain underlying conditions or being infected by an microorganism
isRiskFactorFor
The subject serves as an in vivo model for the study of a certain phenotype (object) during pre-clinical phase.
isModelFor
The subject is a technique carried out in a clinical assessment for evaluation of a condition (object).
isDiagnosisFor
An subject that is a symptom, a sign, an underlying disease, a molecular abnormality, or a clinical result/outcome characterised as the key marker for the diagnosis/onset/classification of a certain condition (object).
isClinicalMarkerFor
The subject describes any process that is carried out at the cellular level, but not necessarily restricted to a single cell for the object.
isCellularProcessFor
A relation describing an anatomical feature of the referenced object with a material entity.
isAnatomicalEntityFor
The subject gene has variation that can lead to an increased disease risk, but does not directly cause a disease.
VariantisGeneticRiskFactorFor
positively regulates (process to process)
positively regulates
molecularly interacts with
http://purl.obolibrary.org/obo/MI_0915
Cognitive symptoms involve problems with concentration and memory and can be just as disabling as the other types of symptoms. The onset of cognitive symptoms is usually realised in the same way as negative symptoms in that they only begin to be noticeable after the dominance of psychotic episodes or positive symptoms have either been controlled with medication or diminished with age.
Modified Defintion
cognitive symptom
https://livingwithschizophreniauk.org/cognitive-symptoms-schizophrenia/
TM_BIN_VariantisGeneticRiskFactorFor
TM_BIN_isSignAndSymptomFor
TM_BIN_isTreatmentFor
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.
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
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 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])
occurrent
Occurrent
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
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
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.
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
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
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 > 1 independent continuants c1, … cn which are not spatial regions are such that for all 1 i < 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 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
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.
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
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
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 requited 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]
Cells taken from a living organism and grown under controlled conditions (in culture). Methods used to maintain cell lines or strains.
BrendaTissueOBO
BTO:0000214
cell culture
Neuroglial cells of ectodermal origin, i.e., the astrocytes and oligodendrocytes considered together. Originally, the term was used for the astrocytes alone.
BrendaTissueOBO
macroglial cell
BTO:0000771
macroglia
BrendaTissueOBO
NBL cell line
BTO:0000932
neuroblastoma cell line
Any of a kingdom (Plantae) of living things typically lacking locomotive movement or obvious nervous or sensory organs and possessing cellulose cell walls.
BrendaTissueOBO
Pflanze
plantae
viridiplantae
BTO:0001481
plant
Mus musculus (mouse) brain neuroblastoma cell line. Clone Neuro-2a was established by R.J. Klebe and F.H. Ruddle from a spontaneous tumor of a strain A albino mouse.
BrendaTissueOBO
N-2a cell
N2A cell
N2a cell
N2alpha cell
NB-2a cell
NB2a cell
NEURO-2A cell
Nb2a cell
Neuro 2A cell
Neuro2A cell
Neuro2a cell
BTO:0001976
Neuro-2a cell
A serrated strip of gray matter under the medial border of the hippocampus and in its depths; it is an archaeocortex which develops along the edge of the hippocampal fissure and which consists of molecular, granular, and polymorphic layers.
BrendaTissueOBO
gyrus dentatus
hippocampal dentate gyrus
BTO:0002496
dentate gyrus
A plaque consisting of tangles of amyloid protein in nervous tissue (a pathological mark of Alzheimer's disease).
BrendaTissueOBO
BTO:0002774
amyloid plaque
The medial temporal lobes are near the Sagittal plane that divides left and right cerebral hemispheres and are thought to be involved in episodic, declarative memory.
Marion
2010-02-04T10:57:44Z
BrendaTissueOBO
BTO:0004477
medial temporal lobe
A piperazine compound having 1,2-benzothiazol-3-yl- and 2-(6-chloro-1,3-dihydro-2-oxindol-5-yl)ethyl substituents attached to the nitrogen atoms.
0
C21H21ClN4OS
InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)
MVWVFYHBGMAFLY-UHFFFAOYSA-N
412.93600
412.11246
Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12
Beilstein:6669199
CAS:146939-27-7
DrugBank:DB00246
Drug_Central:2865
KEGG:C07568
KEGG:D08687
LINCS:LSM-5433
Patent:EP281309
Patent:US4831031
Wikipedia:Ziprasidone
5-{2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl}-6-chloro-1,3-dihydro-2H-indol-2-one
Ziprasidone
chebi_ontology
ziprasidona
ziprasidone
ziprasidonum
CHEBI:10119
ziprasidone
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.
MetaCyc:Vitamin-A
Wikipedia:Vitamin_A
chebi_ontology
vitamin A vitamer
vitamin A vitamers
vitamin-A
vitamins A
CHEBI:12777
vitamin A
Any oxygenated derivative of C22 polyunsaturated fatty acids, such as docosapentaenoic acid (DPA) and docosahexaenoic acid (DHA).
chebi_ontology
docosanoids
CHEBI:131863
docosanoid
0
C19H23NO3
InChI=1S/C19H23NO3/c1-2-21-16-10-6-7-11-17(16)23-19(15-8-4-3-5-9-15)18-14-20-12-13-22-18/h3-11,18-20H,2,12-14H2,1H3/t18-,19-/m1/s1
CBQGYUDMJHNJBX-RTBURBONSA-N
313.392
313.16779
[C@](OC1=C(OCC)C=CC=C1)(C2=CC=CC=C2)([C@]3(CNCCO3)[H])[H]
CAS:71620-89-8
Drug_Central:2361
chebi_ontology
edronax
norebox
reboxetine mesilate
reboxetine mesylate
reboxitine
CHEBI:135342
reboxetine
0
C22H30N2O5S2
InChI=1S/C22H30N2O5S2/c1-3-29-21(28)17(10-9-16-7-5-4-6-8-16)23-15(2)19(25)24-14-22(30-11-12-31-22)13-18(24)20(26)27/h4-8,15,17-18,23H,3,9-14H2,1-2H3,(H,26,27)/t15-,17-,18-/m0/s1
HRWCVUIFMSZDJS-SZMVWBNQSA-N
466.617
466.15961
C([C@@H](N[C@@H](CCC1=CC=CC=C1)C(OCC)=O)C)(=O)N2CC3(C[C@H]2C(=O)O)SCCS3
CAS:83647-97-6
DrugBank:DB01348
Drug_Central:2474
HMDB:HMDB0015438
KEGG:D08529
PMID:10499560
PMID:10499561
PMID:12613273
PMID:8638865
PMID:9345854
Reaxys:4277924
Wikipedia:Spirapril
(8S)-7-[(2S)-2-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}propanoyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxylic acid
chebi_ontology
CHEBI:135756
spirapril
A 3-oxo monocarboxylic acid anion that is the conjugate base of acetoacetic acid, arising from deprotonation of the carboxy group.
-1
C4H5O3
InChI=1S/C4H6O3/c1-3(5)2-4(6)7/h2H2,1H3,(H,6,7)/p-1
WDJHALXBUFZDSR-UHFFFAOYSA-M
101.08070
101.02442
CC(=O)CC([O-])=O
Beilstein:4128534
CAS:141-81-1
KEGG:C00164
MetaCyc:3-KETOBUTYRATE
Reaxys:4128534
UM-BBD_compID:c0069
3-oxobutanoate
Acetoacetate
acetoacetate
chebi_ontology
Acetoacetate ion(1-)
Butanoic acid, 3-oxo-, ion(1-)
CHEBI:13705
acetoacetate
A dihydroxydocosahexaenoic acid that is (4Z,7Z,11E,13E,15Z,19Z)-docosahexaenoic acid in which the two hydroxy substituents are located at positions 10 and 17 (the 10R,17S-stereoisomer). Protectin D1 is one of the specialised proresolving mediators. When produced in neural tissues, it is called neuroprotectin D1
0
C22H32O4
InChI=1S/C22H32O4/c1-2-3-10-15-20(23)17-12-8-9-13-18-21(24)16-11-6-4-5-7-14-19-22(25)26/h3,5-13,17-18,20-21,23-24H,2,4,14-16,19H2,1H3,(H,25,26)/b7-5-,9-8+,10-3-,11-6-,17-12-,18-13+/t20-,21+/m0/s1
CRDZYJSQHCXHEG-SFVBTVKNSA-N
360.488
360.23006
OC(CC/C=C\C/C=C\C[C@H](\C=C\C=C\C=C/[C@H](C/C=C\CC)O)O)=O
Alzpathway: NPD1 leading to ADAM10; Source: https://pubmed.ncbi.nlm.nih.gov/21431475/
HMDB:HMDB0003689
PMID:22690022
PMID:23686636
PMID:23799606
PMID:24107502
PMID:24262603
PMID:24520010
PMID:25139562
PMID:25617763
PMID:26047923
PMID:26427436
PMID:26580578
PMID:26955849
PMID:27632672
PMID:27866493
PMID:27988338
PMID:28109294
PMID:28429196
PMID:28430183
PMID:28615451
PMID:29177613
Reaxys:18351330
Wikipedia:Protectin_D1
(4Z,7Z,10R,11E,13E,15Z,17S,19Z)-10,17-dihydroxydocosa-4,7,11,13,15,19-hexaenoic acid
chebi_ontology
(4Z,7Z,10R,11E,13E,15Z,17S,19Z)-10,17-dihydroxydocosahexaenoic acid
(N)PD1
(neuro)protectin D1
10(R),17(S)-dihydroxydocosa-4Z,7Z,11E,13E,15Z,19Z-hexaenoic acid
NPD1
PD1
neuroprotectin D1
CHEBI:138655
protectin D1
A carboxamide resulting from the formal condensation of a carboxylic acid with a primary amine; formula RC(=O)NHR(1).
0
CHNOR2
43.025
43.00581
N(C(*)=O)(*)[H]
chebi_ontology
secondary carboxamides
CHEBI:140325
secondary carboxamide
A monounsaturated fatty aldehyde that is nonanal that has undergone dehydrogenation to introduce a double bond at any position in the aliphatic chain and in which a hydrogen at position 4 has been replaced by a hydroxy group.
0
C9H16O2
156.222
156.11503
*C([H])=O
PMID:15865448
chebi_ontology
a 4-hydroxynonenal
CHEBI:142593
4-hydroxynonenal
A peptide hormone which consists of two polypeptide chains, A- and B- chains which are linked together by disulfide bonds. The amino acid sequence of insulin varies across species and certain segments of the molecule are highly conserved. In most species, the A chain consists of 21 amino acids and the B chain consists of 30 amino acids. In mammals, insulin is synthesised in the pancreas within the beta cells whereas in certain species of fish, the insulin-producing tissue is uniquely located in separate structures called Brockmann bodies.
PMID:12137720
PMID:19251032
PMID:25848166
PMID:5941964
PMID:6069707
Wikipedia:Insulin
chebi_ontology
CHEBI:145810
insulin
A 3-oxoacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of acetoacetic acid.
0
C25H40N7O18P3S
InChI=1S/C25H40N7O18P3S/c1-13(33)8-16(35)54-7-6-27-15(34)4-5-28-23(38)20(37)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-19(49-51(39,40)41)18(36)24(48-14)32-12-31-17-21(26)29-11-30-22(17)32/h11-12,14,18-20,24,36-37H,4-10H2,1-3H3,(H,27,34)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t14-,18-,19-,20+,24-/m1/s1
OJFDKHTZOUZBOS-CITAKDKDSA-N
851.610
851.13634
CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N
CHEBI:11756
CHEBI:13706
CHEBI:22173
CHEBI:2392
CHEBI:41333
CAS:1420-36-6
DrugBank:DB03059
FooDB:FDB022648
HMDB:HMDB0001484
KEGG:C00332
KNApSAcK:C00007269
LIPID_MAPS_instance:LMFA07050030
PDBeChem:CAA
PMID:10806397
PMID:11137815
PMID:11451959
PMID:12501183
PMID:1682408
PMID:16887802
PMID:239468
PMID:24211201
PMID:26527136
PMID:27093562
PMID:27124816
PMID:28062645
PMID:29226071
PMID:32218776
PMID:6118268
PMID:6150478
PMID:7857927
Reaxys:78273
UM-BBD_compID:c0229
Wikipedia:Acetoacetyl-CoA
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3-oxobutanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate}
Acetoacetyl-CoA
chebi_ontology
3-Acetoacetyl-CoA
Acetoacetyl coenzyme A
S-Acetoacetyl-coenzym A
S-acetoacetyl-CoA
S-acetoacetyl-coenzyme A
acetoacetyl CoA
CHEBI:15345
acetoacetyl-CoA
A thiol comprising a panthothenate unit in phosphoric anhydride linkage with a 3',5'-adenosine diphosphate unit; and an aminoethanethiol unit.
0
C21H36N7O16P3S
InChI=1S/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/t11-,14-,15-,16+,20-/m1/s1
RGJOEKWQDUBAIZ-IBOSZNHHSA-N
767.53540
767.11521
CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCS
CHEBI:13294
CHEBI:13295
CHEBI:13298
CHEBI:23355
CHEBI:3771
CHEBI:41597
CHEBI:41631
CHEBI:741566
Beilstein:77809
CAS:85-61-0
DrugBank:DB01992
KEGG:C00010
KNApSAcK:C00007258
PDBeChem:COA
PDBeChem:COZ
PMID:11923312
PMID:13025483
PMID:15014152
PMID:15893380
PMID:18407920
PMID:19666462
PMID:20351285
PMID:2981478
PMID:7310833
Wikipedia:Coenzyme_A
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl] dihydrogen diphosphate}
COENZYME A
Coenzyme A
chebi_ontology
3'-phosphoadenosine-(5')diphospho(4')pantatheine
CoA
CoA-SH
CoASH
Coenzym A
HSCoA
Koenzym A
[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate
CHEBI:15346
coenzyme A
An acyl-CoA having acetyl as its S-acetyl component.
0
C23H38N7O17P3S
InChI=1S/C23H38N7O17P3S/c1-12(31)51-7-6-25-14(32)4-5-26-21(35)18(34)23(2,3)9-44-50(41,42)47-49(39,40)43-8-13-17(46-48(36,37)38)16(33)22(45-13)30-11-29-15-19(24)27-10-28-20(15)30/h10-11,13,16-18,22,33-34H,4-9H2,1-3H3,(H,25,32)(H,26,35)(H,39,40)(H,41,42)(H2,24,27,28)(H2,36,37,38)/t13-,16-,17-,18+,22-/m1/s1
ZSLZBFCDCINBPY-ZSJPKINUSA-N
809.57208
809.12577
CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
CHEBI:13712
CHEBI:22192
CHEBI:2408
CHEBI:40470
CAS:72-89-9
ECMDB:ECMDB01206
HMDB:HMDB0001206
KEGG:C00024
KNApSAcK:C00007259
PDBeChem:ACO
PMID:12527305
PMID:12739170
PMID:15247244
PMID:16101314
PMID:16667687
PMID:16708165
PMID:17189273
PMID:17242360
PMID:17631502
PMID:18613815
PMID:19356710
PMID:19596230
PMID:19914586
PMID:3950616
Reaxys:78145
UM-BBD_compID:c0031
Wikipedia:Acetyl-CoA
YMDB:YMDB00312
3'-phosphoadenosine 5'-(3-{(3R)-4-[(3-{[2-(acetylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate)
Acetyl-CoA
chebi_ontology
AcCoA
Acetyl coenzyme A
S-acetyl-CoA
S-acetyl-coenzyme A
CHEBI:15351
acetyl-CoA
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
Actylcholine is an ester of acetic acid and choline, which acts as a neurotransmitter.
+1
C7H16NO2
InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1
OIPILFWXSMYKGL-UHFFFAOYSA-N
146.20748
146.11756
CC(=O)OCC[N+](C)(C)C
CHEBI:12686
CHEBI:13715
CHEBI:22197
CHEBI:2416
CHEBI:40559
Beilstein:1764436
CAS:51-84-3
DrugBank:DB03128
Drug_Central:65
Gmelin:326108
KEGG:C01996
LINCS:LSM-5888
PDBeChem:ACH
PMID:14764638
PMID:15014918
PMID:15231705
PMID:15361288
PMID:18050502
PMID:18407448
PMID:19255787
PMID:20963497
PMID:21130809
PMID:21246223
PMID:21545631
PMID:21601579
Wikipedia:Acetylcholine
2-acetyloxy-N,N,N-trimethylethanaminium
ACETYLCHOLINE
Acetylcholine
acetylcholine
chebi_ontology
ACh
Azetylcholin
O-Acetylcholine
choline acetate
CHEBI:15355
acetylcholine
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
A 2-oxo monocarboxylic acid anion that is the conjugate base of pyruvic acid, arising from deprotonation of the carboxy group.
-1
C3H3O3
InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)/p-1
LCTONWCANYUPML-UHFFFAOYSA-M
87.05412
87.00877
CC(=O)C([O-])=O
CHEBI:14987
CHEBI:26462
Beilstein:3587721
CAS:57-60-3
Gmelin:2502
KEGG:C00022
PMID:17190852
PMID:21603897
PMID:21823181
PMID:21854850
PMID:22006570
PMID:22016370
PMID:22215378
PMID:22311625
PMID:22451307
PMID:22458763
Reaxys:3587721
UM-BBD_compID:c0159
2-oxopropanoate
pyruvate
chebi_ontology
2-oxopropanoate
2-oxopropanoic acid, ion(1-)
CHEBI:15361
pyruvate
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
An omega-carboxyacyl-CoA having succinoyl as the S-acyl component.
0
C25H40N7O19P3S
InChI=1S/C25H40N7O19P3S/c1-25(2,20(38)23(39)28-6-5-14(33)27-7-8-55-16(36)4-3-15(34)35)10-48-54(45,46)51-53(43,44)47-9-13-19(50-52(40,41)42)18(37)24(49-13)32-12-31-17-21(26)29-11-30-22(17)32/h11-13,18-20,24,37-38H,3-10H2,1-2H3,(H,27,33)(H,28,39)(H,34,35)(H,43,44)(H,45,46)(H2,26,29,30)(H2,40,41,42)/t13-,18-,19-,20+,24-/m1/s1
VNOYUJKHFWYWIR-ITIYDSSPSA-N
867.60816
867.13125
CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCC(O)=O
CHEBI:10746
CHEBI:15127
CHEBI:26811
CHEBI:45541
CHEBI:9310
CAS:604-98-8
DrugBank:DB03699
KEGG:C00091
KNApSAcK:C00019546
PDBeChem:SCA
PMID:15627487
PMID:17259607
PMID:38930
PMID:7462221
Reaxys:78365
UM-BBD_compID:c0344
3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(3-carboxypropanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Succinyl-CoA
succinyl-CoA
chebi_ontology
Coenzyme A, S-(hydrogen butanedioate)
S-(3-Carboxy-propionyl)-coenzym-A
S-(3-carboxy-propionyl)-CoA
S-(3-carboxypropionyl)-coenzyme-A
S-(Hydrogen succinyl)coenzyme A
S-(hydrogen succinyl)-CoA
SUCCINYL-COENZYME A
Succinyl coenzyme A
Succinyl-coenzyme A
CHEBI:15380
succinyl-CoA
A triterpene consisting of 2,6,10,15,19,23-hexamethyltetracosane having six double bonds at the 2-, 6-, 10-, 14-, 18- and 22-positions with (all-E)-configuration.
0
C30H50
InChI=1S/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3/b27-17+,28-18+,29-23+,30-24+
YYGNTYWPHWGJRM-AAJYLUCBSA-N
410.730
410.39125
CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C=C(/C)CC\C=C(/C)CCC=C(C)C
CHEBI:10795
CHEBI:10843
CHEBI:15104
CHEBI:26746
CHEBI:9245
Beilstein:1728920
CAS:111-02-4
HMDB:HMDB0000256
KEGG:C00751
KNApSAcK:C00003755
LIPID_MAPS_instance:LMPR0106010002
MetaCyc:SQUALENE
PDBeChem:SQL
PMID:16341241
PMID:23625688
PMID:24362891
PMID:25286851
PMID:25286853
PMID:25987292
Wikipedia:Squalene
(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
Squalene
squalene
chebi_ontology
(all-E)-2,6,10,15,19,23-hexamethyl-2,6,10,14,18,22-tetracosahexaene
Spinacene
Supraene
CHEBI:15440
squalene
Prostaglandin F2alpha in which the hydroxy group at position 9 has been oxidised to the corresponding ketone. Prostaglandin E2 is the most common and most biologically potent of mammalian prostaglandins.
0
C20H32O5
InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,19+/m0/s1
XEYBRNLFEZDVAW-ARSRFYASSA-N
352.471
352.22497
CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O
CHEBI:10910
CHEBI:10911
CHEBI:114125
CHEBI:26323
CHEBI:4625
CHEBI:8512
Beilstein:2224724
CAS:363-24-6
DrugBank:DB00917
Drug_Central:913
FooDB:FDB022498
HMDB:HMDB0001220
KEGG:C00584
KEGG:D00079
LINCS:LSM-42919
LIPID_MAPS_instance:LMFA03010003
PDBeChem:P2E
PMID:11279302
PMID:12746806
PMID:12859290
PMID:14499495
PMID:14535055
PMID:14703707
PMID:15542928
PMID:15661432
PMID:16405508
PMID:16787416
PMID:16978535
PMID:20671299
PMID:2403792
PMID:24501112
PMID:32898608
PMID:33271839
PMID:33559528
PMID:33685091
PMID:33715333
PMID:33782420
PMID:33811074
PMID:33958485
PMID:34065827
PMID:34071686
PMID:34102274
PMID:6317292
PMID:7224729
PMID:74611
PMID:7836930
PMID:9276764
Patent:DE2011969
Patent:GB851827
Patent:NL6505799
Patent:US3598858
Reaxys:2224724
Wikipedia:Prostaglandin_E2
(5Z,13E,15S)-11alpha,15-dihydroxy-9-oxoprosta-5,13-dien-1-oic acid
Prostaglandin E2
chebi_ontology
(15S)-prostaglandin E2
(5Z,11alpha,13E,15S)-11,15-dihydroxy-9-oxoprosta-5,13-dien-1-oic acid
(5Z,13E)-(15S)-11alpha,15-Dihydroxy-9-oxoprost-13-enoate
(5Z,13E)-(15S)-11alpha,15-Dihydroxy-9-oxoprosta-5,13-dienoate
(E,Z)-(1R,2R,3R)-7-(3-Hydroxy-2-((3S)-(3-hydroxy-1-octenyl))-5-oxocyclopentyl)-5-heptenoic acid
(Z)-7-((1R,2R,3R)-3-hydroxy-2-((S,E)-3-hydroxyoct-1-enyl)-5-oxocyclopentyl)hept-5-enoic acid
Cervidil
Cerviprime
Cerviprost
Dinoproston
Enzaprost E
Glandin-E2
Minprositin E2
Minprostin E2
PGE2
Prepidil
Propess
Prostarmon E
Prostenone
Prostin
Prostin E2
U 12062
U-12,062
U-12062
dinoprostona
dinoprostone
dinoprostonum
CHEBI:15551
prostaglandin E2
0
C20H32O5
InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18-14-19(17)25-24-18)10-7-4-5-8-11-20(22)23/h4,7,12-13,15-19,21H,2-3,5-6,8-11,14H2,1H3,(H,22,23)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1
YIBNHAJFJUQSRA-YNNPMVKQSA-N
352.46508
352.22497
CCCCC[C@H](O)\C=C\[C@H]1[C@H]2C[C@H](OO2)[C@@H]1C\C=C/CCCC(O)=O
CHEBI:10914
CHEBI:14909
CHEBI:26330
CHEBI:8520
Beilstein:1598632
CAS:42935-17-1
KEGG:C00427
LIPID_MAPS_instance:LMFA03010010
(5Z)-7-{(1R,4S,5R,6R)-6-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-2,3-dioxabicyclo[2.2.1]hept-5-yl}hept-5-enoic acid
(5Z,13E,15S)-9alpha,11alpha-epidioxy-15-hydroxyprosta-5,13-dienoic acid
Prostaglandin H2
chebi_ontology
(5Z,13E)-(15S)-9alpha,11alpha-Epidioxy-15-hydroxyprosta-5,13-dienoate
(5Z,13E,15S)-9alpha,11alpha-Epidioxy-15-hydroxyprosta-5,13-dienoate
(5Z,9alpha,11alpha,13E,15S)-9,11-epidioxy-15-hydroxyprosta-5,13-dien-1-oic acid
9,11-Epoxymethano-pgh2
PGH2
CHEBI:15554
prostaglandin H2
0
C20H25N7O6
InChI=1S/C20H25N7O6/c1-27-12(9-23-16-15(27)18(31)26-20(21)25-16)8-22-11-4-2-10(3-5-11)17(30)24-13(19(32)33)6-7-14(28)29/h2-5,12-13,22H,6-9H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H4,21,23,25,26,31)/t12-,13-/m0/s1
ZNOVTXRBGFNYRX-STQMWFEESA-N
459.45580
459.18663
CN1[C@@H](CNc2ccc(cc2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CNc2nc(N)[nH]c(=O)c12
CHEBI:12146
CHEBI:2097
CAS:134-35-0
DrugBank:DB04789
KEGG:C00440
KNApSAcK:C00007252
N-[4-({[(6S)-2-amino-5-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid
chebi_ontology
5-Methyltetrahydrofolate
N-(5-methyl-5,6,7,8-tetrahydropteroyl)-L-glutamic acid
[(6S)-5-methyl-5,6,7,8-tetrahydropteroyl]glutamate
CHEBI:15641
5-methyltetrahydrofolic acid
An N-acyl-D-glucosamine 6-phosphate that is the N-acetyl derivative of D-glucosamine 6-phosphate. It is a component of the aminosugar metabolism.
0
C8H16NO9P
InChI=1S/C8H16NO9P/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H2,14,15,16)/t4-,5-,6-,7-,8?/m1/s1
BRGMHAYQAZFZDJ-RTRLPJTCSA-N
301.18774
301.05627
CC(=O)N[C@H]1C(O)O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]1O
CHEBI:12456
CHEBI:12564
CHEBI:21521
CHEBI:7127
DrugBank:DB03951
HMDB:HMDB0001062
KEGG:C00357
KNApSAcK:C00019661
PMID:17077487
PMID:8125098
PMID:8747459
Reaxys:2337906
2-acetamido-2-deoxy-D-glucopyranose 6-(dihydrogen phosphate)
N-Acetyl-D-glucosamine 6-phosphate
N-acetyl-D-glucosamine 6-phosphate
chebi_ontology
2-acetamido-2-deoxy-6-O-phosphono-D-glucopyranose
CHEBI:15784
N-acetyl-D-glucosamine 6-phosphate
A peptide containing ten or more amino acid residues.
C4H6N2O3R2(C2H2NOR)n
CHEBI:14860
CHEBI:8314
KEGG:C00403
Polypeptide
polypeptides
chebi_ontology
Polypeptid
polipeptido
CHEBI:15841
polypeptide
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
The oxidised form of nicotinamide adenine dinucleotide found in all living cells. In metabolism, NAD(+) is involved in redox reactions, carrying electrons from one reaction to another.
+1
C21H28N7O14P2
InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
BAWFJGJZGIEFAR-NNYOXOHSSA-O
664.43332
664.11640
NC(=O)c1ccc[n+](c1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O
CHEBI:13394
CHEBI:21901
CHEBI:7422
Beilstein:4120619
CAS:53-84-9
COMe:MOL000026
DrugBank:DB01907
ECMDB:ECMDB00902
Gmelin:544242
HMDB:HMDB0000902
KEGG:C00003
KEGG:D00002
KNApSAcK:C00007256
LINCS:LSM-4965
PDBeChem:NAJ
Reaxys:3584133
YMDB:YMDB00110
adenosine 5'-{3-[1-(3-carbamoylpyridinio)-1,4-anhydro-D-ribitol-5-yl] dihydrogen diphosphate}
chebi_ontology
DPN
Diphosphopyridine nucleotide
NAD
NAD+
Nadide
Nicotinamide adenine dinucleotide
beta-NAD
CHEBI:15846
NAD(+)
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
The 5-diphospho derivative of (R)-mevalonic acid.
0
C6H14O10P2
InChI=1S/C6H14O10P2/c1-6(9,4-5(7)8)2-3-15-18(13,14)16-17(10,11)12/h9H,2-4H2,1H3,(H,7,8)(H,13,14)(H2,10,11,12)/t6-/m1/s1
SIGQQUBJQXSAMW-ZCFIWIBFSA-N
308.11690
308.00622
C[C@@](O)(CCOP(O)(=O)OP(O)(O)=O)CC(O)=O
CHEBI:10989
CHEBI:18674
CHEBI:332
KEGG:C01143
KNApSAcK:C00007615
PDBeChem:DP6
(3R)-3-hydroxy-5-{[hydroxy(phosphonooxy)phosphoryl]oxy}-3-methylpentanoic acid
chebi_ontology
(R)-5-Diphosphomevalonate
(R)-5-diphosphomevalonate
CHEBI:15899
(R)-5-diphosphomevalonic acid
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
Any one of a group of prenol derivatives made up of varying numbers of cis-linked isoprene units, terminating in an alpha-saturated isoprenoid group containing an alcohol functional group, with the three isoprene units at the distal end trans-linked.
0
(C5H8)nC20H36O
CHEBI:14190
CHEBI:23877
CHEBI:4686
CHEBI:57636
CHEBI:67131
KEGG:C00381
PMID:12702274
PMID:14739709
PMID:20637498
PMID:21570481
PMID:22717794
PMID:23059969
PMID:8486680
Dolichol
alpha-(4-hydroxy-2-methylbutyl)-omega-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]poly[(2Z)-2-methylbut-2-ene-1,4-diyl]
dolichol
chebi_ontology
2,3-dihydropolyprenol
dolichols
CHEBI:16091
dolichol
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
Alzpathway: APOE-cholesterol transport. Source: https://pubmed.ncbi.nlm.nih.gov/23620513/
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
A sulfur oxoanion obtained by deprotonation of both OH groups of sulfuric acid.
-2
O4S
InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
QAOWNCQODCNURD-UHFFFAOYSA-L
96.06360
95.95283
[O-]S([O-])(=O)=O
CHEBI:15135
CHEBI:45687
CHEBI:9335
Beilstein:3648446
CAS:14808-79-8
Gmelin:2120
HMDB:HMDB0001448
KEGG:C00059
KEGG:D05963
MetaCyc:SULFATE
PDBeChem:SO4
PMID:11200094
PMID:11452993
PMID:11581495
PMID:11798107
PMID:12166931
PMID:12668033
PMID:14597181
PMID:15093386
PMID:15984785
PMID:16186560
PMID:16345535
PMID:16347366
PMID:16348007
PMID:16483812
PMID:16534979
PMID:16656509
PMID:16742508
PMID:16742518
PMID:17120760
PMID:17420092
PMID:17439666
PMID:17709180
PMID:18398178
PMID:18815700
PMID:18846414
PMID:19047345
PMID:19244483
PMID:19544990
PMID:19628332
PMID:19812358
PMID:30398859
Reaxys:3648446
Wikipedia:Sulfate
Sulfate
sulfate
tetraoxidosulfate(2-)
tetraoxosulfate(2-)
tetraoxosulfate(VI)
chebi_ontology
SO4(2-)
SULFATE ION
Sulfate anion(2-)
Sulfate dianion
Sulfate(2-)
Sulfuric acid ion(2-)
[SO4](2-)
sulphate
sulphate ion
CHEBI:16189
sulfate
An inorganic peroxide consisting of two hydroxy groups joined by a covalent oxygen-oxygen single bond.
0
H2O2
InChI=1S/H2O2/c1-2/h1-2H
MHAJPDPJQMAIIY-UHFFFAOYSA-N
34.01468
34.00548
[H]OO[H]
CHEBI:13354
CHEBI:13355
CHEBI:24637
CHEBI:44812
CHEBI:5586
Beilstein:3587191
CAS:7722-84-1
Drug_Central:3281
Gmelin:509
HMDB:HMDB0003125
KEGG:C00027
KEGG:D00008
MetaCyc:HYDROGEN-PEROXIDE
MolBase:932
PDBeChem:PEO
PMID:10455187
PMID:10557015
PMID:10849784
PMID:11033421
PMID:11105916
PMID:11318558
PMID:11387393
PMID:11809417
PMID:11864786
PMID:11893576
PMID:12867293
PMID:12934880
PMID:14679422
PMID:15028418
PMID:15133946
PMID:15298493
PMID:16337875
PMID:16463018
PMID:16864869
PMID:17020896
PMID:17179007
PMID:17610934
PMID:17948137
PMID:18179203
PMID:18182702
PMID:18306736
PMID:18443210
PMID:18592736
PMID:19107210
PMID:19229032
PMID:19297450
PMID:19509065
PMID:26352695
PMID:26365231
PMID:7548021
PMID:7581816
PMID:8048546
PMID:8375042
PMID:8451754
PMID:9051670
PMID:9100841
PMID:9168257
PMID:9202721
PMID:9558114
PPDB:387
Reaxys:3587191
Wikipedia:Hydrogen_peroxide
HYDROGEN PEROXIDE
Hydrogen peroxide
bis(hydridooxygen)(O--O)
dihydrogen peroxide
dihydrogen(peroxide)
dioxidane
hydrogen peroxide
chebi_ontology
H2O2
HOOH
Oxydol
[OH(OH)]
dihydrogen dioxide
perhydrol
CHEBI:16240
hydrogen peroxide
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
A derivative of glycerol in which one hydroxy group, commonly but not necessarily primary, is esterified with phosphoric acid and the other two are esterified with fatty acids.
0
C5H7O8PR2
226.07800
225.98785
OP(O)(=O)OCC(COC([*])=O)OC([*])=O
CHEBI:14795
CHEBI:26023
CHEBI:8122
KEGG:C00416
Phosphatidic acid
chebi_ontology
1,2-Diacyl-sn-glycerol 3-phosphate
3-sn-Phosphatidate
Phosphatidate
phosphatidic acids
CHEBI:16337
phosphatidic acid
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.
0
C9H10O4(C5H8)n
CHEBI:15279
CHEBI:27186
CHEBI:9852
CAS:1339-63-5
KEGG:C00399
PMID:15788391
PMID:7599208
Ubiquinones
chebi_ontology
CoQ
Coenzym Q
Coenzyme Q
Koenzym Q
Q
Ubichinon
Ubiquinone
a ubiquinone
coenzyme Q
coenzymes Q
mitochondrial ubiquinone
mitochondrial ubiquinones
mitoquinones
CHEBI:16389
ubiquinones
A sphing-4-enine in which the double bond is trans.
0
C18H37NO2
InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3/b15-14+/t17-,18+/m0/s1
WWUZIQQURGPMPG-KRWOKUGFSA-N
299.49190
299.28243
CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)CO
CHEBI:15102
CHEBI:207585
CHEBI:26741
CHEBI:9224
Beilstein:1727294
Beilstein:4676153
CAS:123-78-4
DrugBank:DB03203
HMDB:HMDB0000252
KEGG:C00319
LIPID_MAPS_instance:LMSP01010001
PDBeChem:SQS
PMID:10453988
PMID:16341241
PMID:24731183
PMID:8482346
Reaxys:1727294
(2S,3R,4E)-2-aminooctadec-4-ene-1,3-diol
Sphingosine
chebi_ontology
(2S,3R)-(E)-2-amino-1,3-dihydroxy-4-octadecene
(2S,3R,4E)-2-amino-3-hydroxyoctadec-4-ene-1-ol
(2S,3R,4E)-2-amino-4-octadecene-1,3-diol
(2S,3R,E)-2-aminooctadec-4-ene-1,3-diol
(4E)-sphing-4-enine
(4E)-sphingenine
(E)-2-amino-4-octadecan-1,3-diol
(E)-D-erythro-4-octadecene-1,3-diol
2-amino-4-octadecene-1,3-diol
C18 sphingosine
D-(+)-erythro-1,3-dihydroxy-2-amino-4-trans-octadecene
D-erythro-sphingosine
Sph
Sphing-4-enine
Sphingenine
Sphingoid
Sphingosine d18:1
sphingosin
trans-4-sphingenine
trans-D-erythro-2-amino-4-octadecene-1,3-diol
CHEBI:16393
sphingosine
The reduced form of NADP+; used in anabolic reactions, such as lipid and nucleic acid synthesis, which require NADPH as a reducing agent.
0
C21H30N7O17P3
InChI=1S/C21H30N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1,3-4,7-8,10-11,13-16,20-21,29-31H,2,5-6H2,(H2,23,32)(H,36,37)(H,38,39)(H2,22,24,25)(H2,33,34,35)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
ACFIXJIJDZMPPO-NNYOXOHSSA-N
745.42116
745.09110
NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O
CHEBI:13399
CHEBI:13400
CHEBI:21904
CHEBI:44286
CHEBI:7425
Beilstein:77911
CAS:53-57-6
COMe:MOL000028
ECMDB:ECMDB04111
HMDB:HMDB0000221
KEGG:C00005
KNApSAcK:C00019545
PDBeChem:NDP
PMID:16884311
PMID:17371809
PMID:8627598
YMDB:YMDB00426
2'-O-phosphonoadenosine 5'-{3-[1-(3-carbamoyl-1,4-dihydropyridin-1-yl)-1,4-anhydro-D-ribitol-5-yl] dihydrogen diphosphate}
NADPH
chebi_ontology
NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Reduced nicotinamide adenine dinucleotide phosphate
TPNH
dihydronicotinamide-adenine dinucleotide phosphate
reduced nicotinamide-adenine dinucleotide phosphate
CHEBI:16474
NADPH
A heterocyclic thia fatty acid comprising pentanoic acid with a 1,2-dithiolan-3-yl group at the 5-position.
0
C8H14O2S2
InChI=1S/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)
AGBQKNBQESQNJD-UHFFFAOYSA-N
206.32756
206.04352
OC(=O)CCCCC1CCSS1
CHEBI:146958
CHEBI:25058
CHEBI:6492
Beilstein:122410
Beilstein:81853
CAS:62-46-4
DrugBank:DB00166
Drug_Central:4732
ECMDB:ECMDB01451
Gmelin:720915
KEGG:C00725
KEGG:D00086
PMID:7519986
PMID:7548757
Reaxys:81853
Wikipedia:Lipoic_acid
YMDB:YMDB00334
5-(1,2-dithiolan-3-yl)pentanoic acid
Lipoic acid
chebi_ontology
1,2-dithiolane-3-pentanoic acid
1,2-dithiolane-3-valeric acid
5-(1,2-dithiolan-3-yl)valeric acid
5-(dithiolan-3-yl)valeric acid
5-[3-(1,2-dithiolanyl)]pentanoic acid
6,8-thioctic acid
6,8-thiotic acid
6-thioctic acid
6-thiotic acid
Acetate-replacing factor
Biletan
Thioctansaeure
Thioctic acid
Thioctsaeure
Thioktsaeure
alpha-Lipoic acid
alpha-Liponsaeure
alpha-lipoic acid
liponic acid
CHEBI:16494
lipoic acid
A tetracyclic triterpenoid that is lanosta-8,24-diene substituted by a beta-hydroxy group at the 3beta position. It is the compound from which all steroids are derived.
0
C30H50O
InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,21-22,25-26,31H,9,11-19H2,1-8H3/t21-,22-,25+,26+,28-,29-,30+/m1/s1
CAHGCLMLTWQZNJ-BQNIITSRSA-N
426.71740
426.38617
C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3
CHEBI:14500
CHEBI:25011
CHEBI:43584
CHEBI:6374
Beilstein:2226449
CAS:79-63-0
DrugBank:DB03696
HMDB:HMDB0001251
KEGG:C01724
KNApSAcK:C00003657
LIPID_MAPS_instance:LMST01010017
MetaCyc:LANOSTEROL
PDBeChem:LAN
PMID:14660793
PMID:16445886
PMID:21818119
PMID:21838962
PMID:22824432
PMID:22933236
PMID:22988818
PMID:24525128
PMID:26069216
PMID:26200341
Reaxys:2226449
Wikipedia:Lanosterol
LANOSTEROL
Lanosterol
lanosta-8,24-dien-3beta-ol
lanosterol
chebi_ontology
(3beta)-lanosta-8,24-dien-3-ol
(3beta,5alpha)-4,4,14-trimethylcholesta-8,24-dien-3-ol
4,4',14alpha-Trimethyl-5alpha-cholesta-8,24-dien-3beta-ol
Lanosterin
CHEBI:16521
lanosterol
A naturally occurring polypeptide synthesized at the ribosome.
CHEBI:8526
KEGG:C00017
chebi_ontology
Protein
polypeptide chain
protein polypeptide chains
CHEBI:16541
protein polypeptide chain
A prenol phosphate comprising 3-methylbut-3-en-1-ol having an O-diphosphate substituent.
0
C5H12O7P2
InChI=1S/C5H12O7P2/c1-5(2)3-4-11-14(9,10)12-13(6,7)8/h1,3-4H2,2H3,(H,9,10)(H2,6,7,8)
NUHSROFQTUXZQQ-UHFFFAOYSA-N
246.09210
246.00583
CC(=C)CCOP(O)(=O)OP(O)(O)=O
CHEBI:14473
CHEBI:24907
CHEBI:6037
Beilstein:1713792
CAS:358-71-4
DrugBank:DB04714
KEGG:C00129
KNApSAcK:C00000848
LIPID_MAPS_instance:LMPR01010008
PDBeChem:IPE
PMID:11278429
PMID:15450402
PMID:23000003
PMID:23543734
PMID:23747531
PMID:23872678
PMID:7584140
PMID:7753173
Reaxys:1713792
Wikipedia:Isopentenyl_pyrophosphate
3-methylbut-3-en-1-yl trihydrogen diphosphate
Isopentenyl diphosphate
chebi_ontology
3-Methyl-3-butenyl pyrophosphate
3-methylbut-3-en-1-yl trihydrogen diphosphate
3-methylbut-3-enyl phosphono hydrogen phosphate
Diphosphoric acid mono(3-methyl-3-butenyl) ester
IPP
IPPP
Isopentenyl pyrophosphate
Mono(3-methyl-3-butenyl) diphosphate
delta-3-Isopentenyl pyrophosphate
delta3-Isopentenyl diphosphate
delta3-Methyl-3-butenyl diphosphate
delta3-isopentenyl diphosphate
CHEBI:16584
isopentenyl diphosphate
An aminosulfinic acid comprising ethylamine having the sulfo group at the 2-position.
0
C2H7NO2S
InChI=1S/C2H7NO2S/c3-1-2-6(4)5/h1-3H2,(H,4,5)
VVIUBCNYACGLLV-UHFFFAOYSA-N
109.14852
109.01975
NCCS(O)=O
CHEBI:14429
CHEBI:24760
CHEBI:5839
CAS:300-84-5
HMDB:HMDB0000965
KEGG:C00519
MetaCyc:HYPOTAURINE
PMID:22735334
Reaxys:1743127
Wikipedia:Hypotaurine
2-aminoethanesulfinic acid
Hypotaurine
chebi_ontology
2-Aminoethanesulfinic acid
CHEBI:16668
hypotaurine
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.
0
(C2H2NOR)nC2H3NOR
CHEBI:14753
CHEBI:25906
CHEBI:7990
KEGG:C00012
Peptide
peptides
chebi_ontology
Peptid
peptido
peptidos
CHEBI:16670
peptide
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.
0
C13H16N2O2
InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
DRLFMBDRBRZALE-UHFFFAOYSA-N
232.283
232.12118
C=1C=C(C=C2C(=CNC12)CCNC(=O)C)OC
CHEBI:14577
CHEBI:25180
CHEBI:6730
Beilstein:205542
CAS:73-31-4
DrugBank:DB01065
Drug_Central:1672
HMDB:HMDB0001389
KEGG:C01598
KEGG:D08170
LINCS:LSM-4779
MetaCyc:N-ACETYL-5-METHOXY-TRYPTAMINE
PDBeChem:ML1
PMID:16678784
PMID:18212404
PMID:18485664
Reaxys:205542
Wikipedia:Melatonin
Melatonin
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
melatonin
chebi_ontology
5-methoxy-N-acetyltryptamine
N-Acetyl-5-methoxytryptamine
N-[2-(5-methoxyindol-3-yl)ethyl]acetamide
melatonine
CHEBI:16796
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
The L-enantiomer of tryptophan.
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)/t9-/m0/s1
QIVBCDIJIAJPQS-VIFPVBQESA-N
204.22526
204.08988
N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
CHEBI:13178
CHEBI:184633
CHEBI:21407
CHEBI:45988
CHEBI:46086
CHEBI:46125
CHEBI:46225
CHEBI:6310
Beilstein:86197
CAS:73-22-3
DrugBank:DB00150
Drug_Central:2780
ECMDB:ECMDB00929
Gmelin:51434
HMDB:HMDB0000929
KEGG:C00078
KEGG:D00020
KNApSAcK:C00001396
MetaCyc:TRP
PDBeChem:TRP
PMID:11395471
PMID:11750787
PMID:11888576
PMID:12766158
PMID:12830226
PMID:12871129
PMID:15206750
PMID:16740930
PMID:16934873
PMID:17127472
PMID:17177562
PMID:17430113
PMID:17585690
PMID:17690425
PMID:17826001
PMID:18234569
PMID:18419734
PMID:18949702
PMID:19896323
PMID:21856896
PMID:22071091
PMID:22162421
PMID:22299628
PMID:22386992
PMID:22402312
PMID:22415302
PMID:22415306
PMID:2917974
Reaxys:86197
Wikipedia:Tryptophan
YMDB:YMDB00126
L-Tryptophan
L-tryptophan
chebi_ontology
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid
(S)-alpha-Amino-beta-(3-indolyl)-propionic acid
(S)-alpha-amino-1H-indole-3-propanoic acid
(S)-tryptophan
L-(-)-tryptophan
L-beta-3-indolylalanine
TRYPTOPHAN
Trp
Tryptophan
W
tryptophan
CHEBI:16828
L-tryptophan
A tripeptide compound consisting of glutamic acid attached via its side chain to the N-terminus of cysteinylglycine.
0
C10H17N3O6S
InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1
RWSXRVCMGQZWBV-WDSKDSINSA-N
307.320
307.08381
N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O
CHEBI:12402
CHEBI:14327
CHEBI:24334
CHEBI:42873
CHEBI:43049
CHEBI:5437
CAS:70-18-8
DrugBank:DB00143
Drug_Central:1312
HMDB:HMDB0000125
KEGG:C00051
KEGG:D00014
KNApSAcK:C00001518
MetaCyc:GLUTATHIONE
PDBeChem:GSH
PMID:17439666
PMID:4200890
PMID:4745654
Reaxys:1729812
Wikipedia:Glutathione
Glutathione
L-gamma-glutamyl-L-cysteinylglycine
chebi_ontology
5-L-Glutamyl-L-cysteinylglycine
GSH
Glutathione-SH
N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine
Reduced glutathione
gamma-L-Glutamyl-L-cysteinyl-glycine
CHEBI:16856
glutathione
A gamma-amino acid that is butanoic acid with the amino substituent located at C-4.
0
C4H9NO2
InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)
BTCSSZJGUNDROE-UHFFFAOYSA-N
103.11980
103.06333
NCCCC(O)=O
CHEBI:1786
CHEBI:193777
CHEBI:20318
CHEBI:40483
BPDB:2298
Beilstein:906818
CAS:56-12-2
DrugBank:DB02530
Drug_Central:1262
Gmelin:49775
HMDB:HMDB0000112
KEGG:C00334
KEGG:D00058
KNApSAcK:C00001337
LIPID_MAPS_instance:LMFA01100039
MetaCyc:4-AMINO-BUTYRATE
PDBeChem:ABU
PMID:10630630
PMID:10930630
PMID:16276116
PMID:21614609
PMID:22770225
Reaxys:906818
Wikipedia:Gamma-Aminobutyric_acid
4-aminobutanoic acid
gamma-Aminobutyric acid
gamma-aminobutyric acid
chebi_ontology
4-Aminobutanoic acid
4-Aminobutyric acid
4-aminobutanoic acid
4-aminobutyric acid
4Abu
GABA
GAMMA-AMINO-BUTANOIC ACID
gamma-Aminobuttersaeure
gamma-amino-n-butyric acid
gamma-aminobutanoic acid
omega-aminobutyric acid
piperidic acid
piperidinic acid
CHEBI:16865
gamma-aminobutyric acid
A coenzyme found in all living cells; consists of two nucleotides joined through their 5'-phosphate groups, with one nucleotide containing an adenine base and the other containing nicotinamide.
0
C21H29N7O14P2
InChI=1S/C21H29N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1,3-4,7-8,10-11,13-16,20-21,29-32H,2,5-6H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
BOPGDPNILDQYTO-NNYOXOHSSA-N
665.44126
665.12477
NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O
CHEBI:13395
CHEBI:13396
CHEBI:21902
CHEBI:44216
CHEBI:7423
Beilstein:79324
CAS:58-68-4
COMe:MOL000027
DrugBank:DB00157
Gmelin:544241
HMDB:HMDB0001487
KEGG:C00004
KNApSAcK:C00019343
PDBeChem:NAI
PMID:11259315
PMID:19459318
Reaxys:79324
Wikipedia:Nicotinamide_adenine_dinucleotide
NADH
adenosine 5'-{3-[1-(3-carbamoyl-1,4-dihydropyridin-1-yl)-1,4-anhydro-D-ribitol-5-yl] dihydrogen diphosphate}
chebi_ontology
1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE
DPNH
Reduced nicotinamide adenine dinucleotide
nicotinamide adenine dinucleotide (reduced)
CHEBI:16908
NADH
High molecular weight, linear polymers, composed of nucleotides containing deoxyribose and linked by phosphodiester bonds; DNA contain the genetic information of organisms.
CHEBI:13302
CHEBI:21123
CHEBI:33698
CHEBI:4291
CAS:9007-49-2
KEGG:C00039
Deoxyribonucleic acid
deoxyribonucleic acids
chebi_ontology
(Deoxyribonucleotide)m
(Deoxyribonucleotide)n
(Deoxyribonucleotide)n+m
DNA
DNAn
DNAn+1
DNS
Desoxyribonukleinsaeure
deoxyribonucleic acids
desoxyribose nucleic acid
thymus nucleic acid
CHEBI:16991
deoxyribonucleic acid
A compound in which a carbonyl group is bonded to two carbon atoms: R2C=O (neither R may be H).
0
COR2
28.010
27.99491
[*]C([*])=O
CHEBI:13427
CHEBI:13646
CHEBI:24974
CHEBI:6127
CHEBI:8742
KEGG:C01450
Wikipedia:Ketone
Ketone
ketones
chebi_ontology
Keton
R-CO-R'
a ketone
cetone
ketones
CHEBI:17087
ketone
The diphosphate of the polyprenol compound geraniol.
0
C10H20O7P2
InChI=1S/C10H20O7P2/c1-9(2)5-4-6-10(3)7-8-16-19(14,15)17-18(11,12)13/h5,7H,4,6,8H2,1-3H3,(H,14,15)(H2,11,12,13)/b10-7+
GVVPGTZRZFNKDS-JXMROGBWSA-N
314.20912
314.06843
CC(C)=CCC\C(C)=C\COP(O)(=O)OP(O)(O)=O
CHEBI:14299
CHEBI:24223
CHEBI:42877
CHEBI:5332
Beilstein:1915690
CAS:763-10-0
DrugBank:DB02552
KEGG:C00341
KNApSAcK:C00000846
LIPID_MAPS_instance:LMPR0102010001
PDBeChem:GPP
PMID:19049370
PMID:19856009
PMID:23607888
PMID:7753173
Reaxys:1915690
(2E)-3,7-dimethylocta-2,6-dien-1-yl trihydrogen diphosphate
GERANYL DIPHOSPHATE
Geranyl diphosphate
chebi_ontology
geranyl pyrophosphate
CHEBI:17211
geranyl diphosphate
A sulfur-containing amino acid consisting of a glycine core with a 2-mercaptoethyl side-chain.
0
C4H9NO2S
InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)
FFFHZYDWPBMWHY-UHFFFAOYSA-N
135.18580
135.03540
NC(CCS)C(O)=O
CHEBI:14408
CHEBI:5751
HMDB:HMDB0000742
KEGG:C05330
PMID:11133260
PMID:16596805
PMID:18370634
Wikipedia:Homocysteine
2-amino-4-sulfanylbutanoic acid
Homocysteine
homocysteine
chebi_ontology
2-Amino-4-mercaptobutyric acid
Hcy
CHEBI:17230
homocysteine
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
An androstanoid having 17beta-hydroxy and 3-oxo groups, together with unsaturation at C-4-C-5..
0
C19H28O2
InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1
MUMGGOZAMZWBJJ-DYKIIFRCSA-N
288.42440
288.20893
[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H](O)CC[C@@]21[H]
CHEBI:15214
CHEBI:26883
CHEBI:45798
CHEBI:9461
Beilstein:1915399
Beilstein:3653705
CAS:58-22-0
DrugBank:DB00624
Drug_Central:2607
Gmelin:538843
HMDB:HMDB0000234
KEGG:C00535
KEGG:D00075
KNApSAcK:C00003675
LIPID_MAPS_instance:LMST02020002
PDBeChem:TES
PMID:10438974
PMID:11786693
PMID:18900503
PMID:24498482
Reaxys:1915399
Wikipedia:Testosterone
17beta-hydroxyandrost-4-en-3-one
TESTOSTERONE
Testosterone
testosterone
chebi_ontology
17beta-Hydroxy-4-androsten-3-one
17beta-hydroxy-4-androsten-3-one
4-androsten-17beta-ol-3-one
Androderm
Testosteron
testosterona
testosterone
testosteronum
CHEBI:17347
testosterone
A sulfur oxoanion that is the conjugate base of hydrogen sulfite (H2SO3).
-2
O3S
InChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3)/p-2
LSNNMFCWUKXFEE-UHFFFAOYSA-L
80.06420
79.95791
[O-]S([O-])=O
CHEBI:15139
CHEBI:45548
CAS:14265-45-3
Gmelin:1449
PDBeChem:SO3
sulfite
trioxidosulfate(2-)
trioxosulfate(2-)
trioxosulfate(IV)
chebi_ontology
SO3
SO3(2-)
SULFITE ION
[SO3](2-)
sulphite
CHEBI:17359
sulfite
A compound RC(=O)H, in which a carbonyl group is bonded to one hydrogen atom and to one R group.
0
CHOR
29.01800
29.00274
[H]C([*])=O
CHEBI:13432
CHEBI:13753
CHEBI:13805
CHEBI:13806
CHEBI:22291
CHEBI:2554
CHEBI:8750
KEGG:C00071
Aldehyde
aldehyde
aldehydes
chebi_ontology
Aldehyd
RC(=O)H
RCHO
aldehido
aldehidos
aldehydes
aldehydum
an aldehyde
CHEBI:17478
aldehyde
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
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
vitamin B12
Ceramides (N-acyl-sphingoid bases) are a major subclass of sphingoid base derivatives with an amide-linked fatty acid. The fatty acids are typically saturated or monounsaturated with chain lengths from 14 to 26 carbon atoms; the presence of a hydroxyl group on carbon 2 is fairly common. Ceramides are generally precursors of more complex sphingolipids. In the illustrated generalised structure, R(1) = OH, OX (where X = acyl, glycosyl, phosphate, phosphonate, etc.), or H.
0
C4H6NO2R3
100.09590
100.03985
O[C@H]([*])[C@H](C[*])NC([*])=O
CHEBI:12487
CHEBI:13954
CHEBI:23074
CHEBI:7242
KEGG:C00195
LIPID_MAPS_class:LMSP02
PMID:7542630
Wikipedia:Ceramide
Ceramide
chebi_ontology
Cer
N-acylated sphingoid
a ceramide
ceramides
CHEBI:17761
ceramide
A compound containing at least one carbon-halogen bond (where X is a halogen atom).
0
RX
**
CHEBI:13444
CHEBI:36684
CHEBI:8767
KEGG:C01322
MetaCyc:Organohalogen-Compounds
chebi_ontology
RX
organic halide
organic halides
organohalogen compounds
CHEBI:17792
organohalogen compound
0
C20H32N6O12S2
InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/t9-,10-,11-,12-/m0/s1
YPZRWBKMTBYPTK-BJDJZHNGSA-N
612.63332
612.15196
N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)C(=O)NCC(O)=O)C(O)=O
CHEBI:14328
CHEBI:14720
CHEBI:24336
CHEBI:42832
CHEBI:7840
CAS:27025-41-8
DrugBank:DB03310
Drug_Central:5130
KEGG:C00127
KEGG:D00031
PDBeChem:GDS
(2S,2'S)-5,5'-[disulfanediylbis({(2R)-3-[(carboxymethyl)amino]-3-oxopropane-1,2-diyl}imino)]bis(2-amino-5-oxopentanoic acid)
Glutathione disulfide
chebi_ontology
GSSG
OXIDIZED GLUTATHIONE DISULFIDE
Oxidized glutathione
Oxiglutatione
glutathione disulphide
oxidised glutathione
CHEBI:17858
glutathione disulfide
0
C9H12O4(C5H8)n
CHEBI:15278
CHEBI:27182
CHEBI:9851
CAS:56275-39-9
KEGG:C00390
Ubiquinol
chebi_ontology
CoQH2
QH(2)
QH2
a ubiquinol
coenzymes QH2
reduced ubiquinone
ubiquinols
CHEBI:17976
ubiquinol
A thioester that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of any carboxylic acid.
0
C22H35N7O17P3SR
794.53600
794.10230
CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC([*])=O
CHEBI:13727
CHEBI:13802
CHEBI:22223
CHEBI:2455
CAS:9029-97-4
KEGG:C00040
PMID:11264983
PMID:11524729
PMID:16495773
PMID:21514367
PMID:21541677
Acyl-CoA
chebi_ontology
Acyl coenzyme A
CHEBI:17984
acyl-CoA
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
+1
C21H29N7O17P3
InChI=1S/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
XJLXINKUBYWONI-NNYOXOHSSA-O
744.41322
744.08273
NC(=O)c1ccc[n+](c1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O
CHEBI:13398
CHEBI:21903
CHEBI:7424
Beilstein:3645734
CAS:53-59-8
COMe:MOL000029
KEGG:C00006
PDBeChem:NAP
2'-O-phosphonoadenosine 5'-{3-[1-(3-carbamoylpyridinio)-1,4-anhydro-D-ribitol-5-yl] dihydrogen diphosphate}
chebi_ontology
NADP
NADP+
Nicotinamide adenine dinucleotide phosphate
TPN
Triphosphopyridine nucleotide
beta-Nicotinamide adenine dinucleotide phosphate
beta-nicotinamide adenine dinucleotide phosphate
oxidized nicotinamide-adenine dinucleotide phosphate
CHEBI:18009
NADP(+)
A pseudohalide anion obtained by deprotonation of the thiol group of thiocyanic acid.
-1
CNS
InChI=1S/CHNS/c2-1-3/h3H/p-1
ZMZDMBWJUHKJPS-UHFFFAOYSA-M
58.08344
57.97569
[S-]C#N
CHEBI:15234
CHEBI:24926
CHEBI:26954
CHEBI:45576
Beilstein:1901207
CAS:302-04-5
Gmelin:1089
PDBeChem:SCN
UM-BBD_compID:c0560
nitridosulfidocarbonate(1-)
nitridothiocarbonate(1-)
nitridothiocarbonate(IV)
thiocyanate
chebi_ontology
N#C-S(-)
NCS-
Rhodanid
SCN(-)
THIOCYANATE ION
Thiozyanat
[S-C#N](-)
rhodanide
thiocyanate ion (1-)
CHEBI:18022
thiocyanate
'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
The parent compound of the citrulline class consisting of ornithine having a carbamoyl group at the N(5)-position.
0
C6H13N3O3
InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)
RHGKLRLOHDJJDR-UHFFFAOYSA-N
175.18584
175.09569
NC(CCCNC(N)=O)C(O)=O
CHEBI:14002
CHEBI:3730
Beilstein:1725417
Beilstein:2328251
CAS:627-77-0
PMID:11094453
PMID:11113071
PMID:11696417
PMID:1378088
PMID:16082501
PMID:16708633
PMID:17005970
PMID:17513438
PMID:17558653
PMID:17693747
PMID:18437289
PMID:18440672
PMID:18989563
PMID:19144577
PMID:21129371
PMID:21482070
Reaxys:1725417
Wikipedia:Citrulline
2-amino-5-(carbamoylamino)pentanoic acid
Citrulline
N(5)-carbamoylornithine
citrulline
chebi_ontology
2-Amino-5-uredovaleric acid
Cit
Citrullin
DL-2-amino-5-ureidovaleric acid
N(5)-(aminocarbonyl)-DL-ornithine
N(5)-(aminocarbonyl)ornithine
N(5)-carbamoyl-DL-ornithine
citrulina
dl-citrulline
CHEBI:18211
citrulline
Catechol in which the hydrogen at position 4 is substituted by a 2-aminoethyl group.
0
C8H11NO2
InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
VYFYYTLLBUKUHU-UHFFFAOYSA-N
153.17840
153.07898
NCCc1ccc(O)c(O)c1
CHEBI:11695
CHEBI:11930
CHEBI:14203
CHEBI:1764
CHEBI:23886
CHEBI:43686
CAS:51-61-6
DrugBank:DB00988
Drug_Central:947
HMDB:HMDB0000073
KEGG:C03758
KEGG:D07870
KNApSAcK:C00001408
LINCS:LSM-4630
MetaCyc:DOPAMINE
PMID:10629745
PMID:11149432
PMID:9422813
Reaxys:1072822
Wikipedia:Dopamine
4-(2-aminoethyl)benzene-1,2-diol
Dopamine
chebi_ontology
2-(3,4-Dihydroxyphenyl)ethylamine
2-(3,4-dihydroxyphenyl)ethylamine
3,4-Dihydroxyphenethylamine
3-Hydroxytyramine
4-(2-Aminoethyl)-1,2-benzenediol
4-(2-Aminoethyl)benzene-1,2-diol
4-(2-aminoethyl)-1,2-benzenediol
4-(2-aminoethyl)catechol
4-(2-aminoethyl)pyrocatechol
Deoxyepinephrine
Hydroxytyramin
dopamina
dopamine
dopaminum
CHEBI:18243
dopamine
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
A compound having the structure RC#N; thus a C-substituted derivative of hydrocyanic acid, HC#N. In systematic nomenclature, the suffix nitrile denotes the triply bound #N atom, not the carbon atom attached to it.
0
CNR
26.01740
26.00307
[*]C#N
CHEBI:13212
CHEBI:13426
CHEBI:13660
CHEBI:25547
CHEBI:7584
KEGG:C00726
Nitrile
nitrile
nitriles
chebi_ontology
Nitril
R-CN
a nitrile
nitrilos
CHEBI:18379
nitrile
+2
Mg
InChI=1S/Mg/q+2
JLVVSXFLKOJNIY-UHFFFAOYSA-N
24.30500
23.98394
[Mg++]
CHEBI:13379
CHEBI:25112
CHEBI:49736
CHEBI:6635
CAS:22537-22-0
Gmelin:6857
KEGG:C00305
PDBeChem:MG
magnesium cation
magnesium(2+)
magnesium(2+) ion
magnesium(II) cation
chebi_ontology
MAGNESIUM ION
Mg(2+)
Mg2+
magnesium, doubly charged positive ion
magnesium, ion (Mg(2+))
CHEBI:18420
magnesium(2+)
-1
O2
InChI=1S/HO2/c1-2/h1H/p-1
OUUQCZGPVNCOIJ-UHFFFAOYSA-M
31.99880
31.98983
[O][O-]
CHEBI:15143
CHEBI:26839
CHEBI:7710
CAS:11062-77-4
Gmelin:487
KEGG:C00704
dioxidanidyl
dioxide(.1-)
superoxide
chebi_ontology
(O2)(.-)
Hyperoxid
O2(-)
O2(.-)
O2-
O2.-
Superoxide anion
dioxide(1-)
hyperoxide
superoxide anion radical
superoxide radical
superoxide radical anion
superoxyde
CHEBI:18421
superoxide
A hydroxy fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of any 3-hydroxy fatty acid.
0
C24H39N7O18P3SR
838.58900
838.12851
CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC(O)[*]
PMID:12106015
PMID:1778900
PMID:20583174
PMID:20670938
PMID:20923481
PMID:21502722
PMID:7552767
chebi_ontology
3-hydroxy fatty acyl CoA
3-hydroxy fatty acyl CoAs
3-hydroxy fatty acyl coenzyme A
3-hydroxy fatty acyl coenzyme As
3-hydroxyacyl-CoAs
beta-hydroxy fatty acyl-CoA
beta-hydroxy fatty acyl-CoAs
beta-hydroxy fatty acyl-coenzyme A
beta-hydroxy fatty acyl-coenzyme As
beta-hydroxyacyl-CoA
beta-hydroxyacyl-CoAs
beta-hydroxyacyl-coenzyme A
beta-hydroxyacyl-coenzyme As
CHEBI:20060
3-hydroxy fatty acyl-CoA
A N-acyl-D-glucosamine 1-phosphate in which the acyl group specified is acetyl.
chebi_ontology
CHEBI:21519
N-acetyl-D-glucosamine 1-phosphate
chebi_ontology
CHEBI:22198
acetylcysteine
chebi_ontology
adenosine bisphosphates
CHEBI:22251
adenosine bisphosphate
chebi_ontology
adenosine phosphates
CHEBI:22256
adenosine phosphate
A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
chebi_ontology
antioxidants
antioxydant
antoxidant
CHEBI:22586
antioxidant
Any aromatic carboxylic acid that consists of benzene in which at least a single hydrogen has been substituted by a carboxy group.
chebi_ontology
CHEBI:22723
benzoic acids
MetaCyc:All-Biopterines
chebi_ontology
CHEBI:22881
biopterins
Benzenoid aromatic compounds containing two phenyl or substituted-phenyl groups which are joined together by a single bond.
chebi_ontology
CHEBI:22888
biphenyls
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
0
CO
28.01010
27.99491
O=C(*)*
carbonyl
carbonyl group
chebi_ontology
>C=O
CHEBI:23019
carbonyl group
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
Any constitutionally or isotopically distinct atom, molecule, ion, ion pair, radical, radical ion, complex, conformer etc., identifiable as a separately distinguishable entity.
molecular entity
chebi_ontology
entidad molecular
entidades moleculares
entite moleculaire
molecular entities
molekulare Entitaet
CHEBI:23367
molecular entity
A compound that contains two hydroxy groups, generally assumed to be, but not necessarily, alcoholic. Aliphatic diols are also called glycols.
Wikipedia:Diol
diols
chebi_ontology
CHEBI:23824
diol
Any substance which when absorbed into a living organism may modify one or more of its functions. The term is generally accepted for a substance taken for a therapeutic purpose, but is also commonly used for abused substances.
chebi_ontology
drugs
medicine
CHEBI:23888
drug
A compound or agent that combines with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.
enzyme inhibitor
chebi_ontology
enzyme inhibitors
inhibidor enzimatico
inhibidores enzimaticos
inhibiteur enzymatique
inhibiteurs enzymatiques
CHEBI:23924
enzyme inhibitor
chebi_ontology
ethanolamine
CHEBI:23981
ethanolamines
A member of the class of phenothiazines that is 10H-phenothiazine substituted by a 3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl group at the nitogen atom and an acetyl group at position 2.
0
C23H29N3O2S
InChI=1S/C23H29N3O2S/c1-18(28)19-7-8-23-21(17-19)26(20-5-2-3-6-22(20)29-23)10-4-9-24-11-13-25(14-12-24)15-16-27/h2-3,5-8,17,27H,4,9-16H2,1H3
WNTYBHLDCKXEOT-UHFFFAOYSA-N
411.56138
411.19805
CC(=O)c1ccc2Sc3ccccc3N(CCCN3CCN(CCO)CC3)c2c1
Beilstein:57631
CAS:2751-68-0
DrugBank:DB01063
Drug_Central:59
HMDB:HMDB0015196
KEGG:C06807
PMID:13904111
PMID:13986480
PMID:14020672
PMID:14211419
Reaxys:57631
Wikipedia:Acetophenazine
1-(10-{3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl}-10H-phenothiazin-2-yl)ethanone
Acetophenazine
chebi_ontology
CHEBI:2401
acetophenazine
fluorine molecular entity
chebi_ontology
fluorine compounds
fluorine molecular entities
CHEBI:24062
fluorine molecular entity
Compounds containing at least one furan ring.
chebi_ontology
oxacyclopenta-2,4-dienes
CHEBI:24129
furans
Glucocorticoids are a class of steroid hormones that regulate a variety of physiological processes, in particular control of the concentration of glucose in blood.
chebi_ontology
glucocorticoids
CHEBI:24261
glucocorticoid
A chemical entity is a physical entity of interest in chemistry including molecular entities, parts thereof, and chemical substances.
chemical entity
chebi_ontology
CHEBI:24431
chemical entity
A role played by the molecular entity or part thereof within a biological context.
chebi_ontology
biological function
CHEBI:24432
biological role
A defined linked collection of atoms or a single atom within a molecular entity.
group
chebi_ontology
Gruppe
Rest
groupe
grupo
grupos
CHEBI:24433
group
halogen molecular entity
chebi_ontology
halogen compounds
halogen molecular entities
CHEBI:24471
halogen molecular entity
A cyclic compound having as ring members atoms of carbon and at least of one other element.
chebi_ontology
organic heterocycle
organic heterocyclic compounds
CHEBI:24532
organic heterocyclic compound
Originally referring to an endogenous compound that is formed in specialized organ or group of cells and carried to another organ or group of cells, in the same organism, upon which it has a specific regulatory function, the term is now commonly used to include non-endogenous, semi-synthetic and fully synthetic analogues of such compounds.
chebi_ontology
endocrine
hormones
CHEBI:24621
hormone
Hydroxides are chemical compounds containing a hydroxy group or salts containing hydroxide (OH(-)).
chebi_ontology
CHEBI:24651
hydroxides
Any carboxylic acid with at least one hydroxy group.
chebi_ontology
hydroxy carboxylic acids
hydroxycarboxylic acid
hydroxycarboxylic acids
CHEBI:24669
hydroxy carboxylic acid
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
oxoacids
chebi_ontology
oxacids
oxiacids
oxo acid
oxy-acids
oxyacids
CHEBI:24833
oxoacid
A molecular entity having a net electric charge.
Ion
ion
chebi_ontology
Ionen
iones
ions
CHEBI:24870
ion
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
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
lactones
chebi_ontology
Lacton
Lakton
Laktone
lactona
lactonas
CHEBI:25000
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
Any icosanoid from that family of C20 polyunsaturated fatty acids and their derivatives generated by leukocytes from arachidonic acid, each member having four double bonds of which three are conjugated.
LIPID_MAPS_class:LMFA0302
PMID:10922142
PMID:15794321
PMID:3001504
PMID:6129158
PMID:6293196
PMID:6311078
PMID:8842590
PMID:9526099
PMID:9561094
Leukotriene
leukotriene
leukotrienes
chebi_ontology
Leukotrien
leucotriene
leucotrienes
leukotrienes
CHEBI:25029
leukotriene
A dihydroxy monocarboxylic acid comprising valeric acid having two hydroxy groups at the 3- and 5-positions together with a methyl group at the 3-position.
0
C6H12O4
InChI=1S/C6H12O4/c1-6(10,2-3-7)4-5(8)9/h7,10H,2-4H2,1H3,(H,8,9)
KJTLQQUUPVSXIM-UHFFFAOYSA-N
148.15708
148.07356
CC(O)(CCO)CC(O)=O
Beilstein:1722595
HMDB:HMDB0000227
PMID:22770225
Reaxys:1722595
3,5-dihydroxy-3-methylpentanoic acid
chebi_ontology
DL-Mevalonic acid
MVA
RS-Mevalonic acid
CHEBI:25351
mevalonic acid
Any polyatomic entity that is an electrically neutral entity consisting of more than one atom.
molecule
chebi_ontology
Molekuel
molecula
molecules
neutral molecular compounds
CHEBI:25367
molecule
An oxoacid containing a single carboxy group.
chebi_ontology
monocarboxylic acids
CHEBI:25384
monocarboxylic acid
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.
KEGG:C01329
chebi_ontology
NMP
Nucleoside monophosphate
nucleoside phosphates
CHEBI:25608
nucleoside phosphate
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
chebi_ontology
n-3 fatty acid
n-3 fatty acids
omega-3 fatty acids
CHEBI:25681
omega-3 fatty acid
chebi_ontology
organic heteromonocyclic compounds
CHEBI:25693
organic heteromonocyclic compound
An organooxygen compound with formula ROR, where R is not hydrogen.
0
OR2
15.99940
15.99491
[*]O[*]
ether
ethers
chebi_ontology
ethers
CHEBI:25698
ether
Wikipedia:Organophosphate
organic phosphate
chebi_ontology
organic phosphate ester
organic phosphate esters
organic phosphates
organophosphate ester
organophosphate esters
CHEBI:25703
organic phosphate
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.
Wikipedia:Organophosphorus_compound
organophosphorus compound
chebi_ontology
organophosphorus compounds
CHEBI:25710
organophosphorus compound
oxygen molecular entity
chebi_ontology
oxygen molecular entities
CHEBI:25806
oxygen molecular entity
aldopentose phosphate
chebi_ontology
aldopentose phosphates
CHEBI:25900
aldopentose phosphate
The nitrogen oxoanion formed by loss of a proton from peroxynitrous acid.
-1
NO3
InChI=1S/HNO3/c2-1-4-3/h3H/p-1
CMFNMSMUKZHDEY-UHFFFAOYSA-M
62.00494
61.98837
[O-]ON=O
CAS:19059-14-4
Gmelin:674445
KEGG:C16845
PMID:29051068
Wikipedia:Peroxynitrite
azoperoxoite
oxidoperoxidonitrate(1-)
peroxynitrite
chebi_ontology
[NO(OO)](-)
CHEBI:25941
peroxynitrite
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.
phosphates
chebi_ontology
phosphates
CHEBI:26020
phosphate
chebi_ontology
CHEBI:26079
phosphoric acid derivative
chebi_ontology
phosphorus molecular entities
CHEBI:26082
phosphorus molecular entity
Any amino acid whose side chain is capable of forming one or more hydrogen bonds.
0
C2H4NO2R
74.059
74.02420
OC(C(*)N)=O
CHEBI:8283
MetaCyc:Polar-amino-acids
PMID:12016058
polar amino acid
chebi_ontology
polar amino acids
polar amino-acid
polar amino-acids
CHEBI:26167
polar amino acid
A compound that contains two or more hydroxy groups.
chebi_ontology
polyols
CHEBI:26191
polyol
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
A symmetrical oxalamide-based bis-quaternary ammonium ion having ethyl and 2-chlorobenzyl groups attached to the nitrogens.
+2
C28H42Cl2N4O2
InChI=1S/C28H40Cl2N4O2/c1-5-33(6-2,21-23-13-9-11-15-25(23)29)19-17-31-27(35)28(36)32-18-20-34(7-3,8-4)22-24-14-10-12-16-26(24)30/h9-16H,5-8,17-22H2,1-4H3/p+2
OMHBPUNFVFNHJK-UHFFFAOYSA-P
537.56500
536.26738
CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)Cc1ccccc1Cl)Cc1ccccc1Cl
Beilstein:4168740
CAS:7648-98-8
DrugBank:DB01122
Drug_Central:146
KEGG:C07773
Wikipedia:Ambenonium
2,2'-[(1,2-dioxoethane-1,2-diyl)diimino]bis[N-(2-chlorobenzyl)-N,N-diethylethanaminium]
Ambenonium
chebi_ontology
Ambenonium Base
Ambenonum
CHEBI:2627
ambenonium
chebi_ontology
CHEBI:26373
pteridines
chebi_ontology
CHEBI:26375
pterins
Any nucleotide that has a purine nucleobase.
chebi_ontology
purine nucleotides
CHEBI:26395
purine nucleotide
Any ribonucleotide that has a purine nucleobase.
chebi_ontology
purine ribonucleotides
CHEBI:26400
purine ribonucleotide
A class of imidazopyrimidines that consists of purine and its substituted derivatives.
0
C5N4R7
116.080
116.01230
CHEBI:13678
chebi_ontology
CHEBI:26401
purines
A retinoid consisting of 3,7-dimethylnona-2,4,6,8-tetraenoic acid substituted at position 9 by a 2,6,6-trimethylcyclohex-1-en-1-yl group (geometry of the four exocyclic double bonds is not specified).
0
C20H28O2
InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)
SHGAZHPCJJPHSC-UHFFFAOYSA-N
300.43512
300.20893
CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(O)=O
LINCS:LSM-2135
PMID:24506204
3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid
chebi_ontology
CHEBI:26536
retinoic acid
chebi_ontology
ribonucleotides
CHEBI:26561
ribonucleotide
ribose phosphate
chebi_ontology
ribose phosphates
CHEBI:26562
ribose phosphate
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
An organic tricyclic compound that is 10,11-dihydro-5H-dibenzo[a,d][7]annulene substituted by a 3-(dimethylamino)propylidene group at position 5.
0
C20H23N
InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3
KRMDCWKBEZIMAB-UHFFFAOYSA-N
277.40336
277.18305
CN(C)CCC=C1c2ccccc2CCc2ccccc12
Beilstein:2217885
CAS:50-48-6
DrugBank:DB00321
Drug_Central:180
HMDB:HMDB0014466
KEGG:C06824
KEGG:D07448
LINCS:LSM-3190
PMID:15554244
PMID:18359012
PMID:24447704
Patent:CN101780063
Patent:WO2011089289
Reaxys:2217885
VSDB:2962
Wikipedia:Amitriptyline
3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)-N,N-dimethylpropan-1-amine
Amitriptyline
chebi_ontology
10,11-dihydro-5-(gamma-dimethylaminopropylidene)-5H-dibenzo(a,d)cycloheptene
10,11-dihydro-N,N-dimethyl-5H-dibenzo(a,d)heptalene-Delta(5),gamma-propylamine
3-(10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-ylidene)-N,N-dimethyl-1-propanamine
3-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-N,N-dimethylpropan-1-amine
5-(3-dimethylaminopropylidene)-10,11-dihydro-5H-dibenzo(a,d)cycloheptatriene
5-(3-dimethylaminopropylidene)-10,11-dihydro-5H-dibenzo(a,d)cycloheptene
5-(gamma-dimethylaminopropylidene)-5H-dibenzo[a,d][1,4]cycloheptadiene
Amitriptylin
CHEBI:2666
amitriptyline
Sphingolipids are a complex family of compounds that share a common structural feature, a sphingoid base backbone.
chebi_ontology
sphingolipids
CHEBI:26739
sphingolipid
A dibenzooxazepine compound having a chloro substituent at the 2-position and a piperazin-1-yl group at the 11-position.
0
C17H16ClN3O
InChI=1S/C17H16ClN3O/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2
QWGDMFLQWFTERH-UHFFFAOYSA-N
313.78100
313.09819
Clc1ccc2Oc3ccccc3N=C(N3CCNCC3)c2c1
Beilstein:832057
CAS:14028-44-5
DrugBank:DB00543
Drug_Central:191
KEGG:D00228
LINCS:LSM-2021
Patent:FR1508536
Patent:US3663696
Wikipedia:Amoxapine
2-chloro-11-(piperazin-1-yl)dibenzo[b,f][1,4]oxazepine
chebi_ontology
2-Chloro-11-(1-piperazinyl)dibenz(b,f)(1,4)oxazepine
Desmethylloxapin
amoxapina
amoxapine
amoxapinum
CHEBI:2675
amoxapine
Any steroid that acts as hormone.
chebi_ontology
Steroidhormon
Steroidhormone
hormona esteroide
hormonas esteroideas
hormone steroide
hormones steroides
steroid hormones
CHEBI:26764
steroid hormone
A dicarboxylic acid anion obtained by deprotonation of at least one of the carboxy groups of succinic acid.
chebi_ontology
succinate anion
succinates
succinic acid anion
CHEBI:26806
succinate
chebi_ontology
carbohydrate phosphates
CHEBI:26816
carbohydrate phosphate
sulfur molecular entity
chebi_ontology
sulfur molecular entities
CHEBI:26835
sulfur molecular entity
An ester in which one or both oxygens of an ester group have been replaced by divalent sulfur.
chebi_ontology
thiocarboxylic esters
CHEBI:26959
thiocarboxylic ester
chebi_ontology
CHEBI:26977
thiosulfate
chebi_ontology
heterobicyclic compounds
organic heterobicyclic compounds
CHEBI:27171
organic heterobicyclic compound
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
chebi_ontology
vitamin B-6
vitamin B6 vitamer
vitamin B6 vitamers
vitamina B6
vitamine B6
vitamins B6
CHEBI:27306
vitamin B6
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
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.
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
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
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
folic acid
0
C20H32O6
InChI=1S/C20H32O6/c1-2-3-6-9-15(24-23)12-13-17-16(18-14-19(17)26-25-18)10-7-4-5-8-11-20(21)22/h4,7,12-13,15-19,23H,2-3,5-6,8-11,14H2,1H3,(H,21,22)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1
SGUKUZOVHSFKPH-YNNPMVKQSA-N
368.46448
368.21989
CCCCC[C@H](OO)\C=C\[C@H]1[C@H]2C[C@H](OO2)[C@@H]1C\C=C/CCCC(O)=O
CHEBI:26329
CHEBI:44869
CHEBI:8519
CAS:51982-36-6
DrugBank:DB03866
KEGG:C05956
LIPID_MAPS_instance:LMFA03010009
(5Z)-7-{(1R,4S,5R,6R)-6-[(1E,3S)-3-hydroperoxyoct-1-en-1-yl]-2,3-dioxabicyclo[2.2.1]hept-5-yl}hept-5-enoic acid
(5Z,9S,11R,13E,15S)-15-hydroperoxy-9,11-epidioxyprosta-5,13-dien-1-oic acid
Prostaglandin G2
chebi_ontology
PGG2
CHEBI:27647
prostaglandin G2
0
C63H91CoN13O14P
InChI=1S/C62H90N13O14P.CH3.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;;/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);1H3;/q;;+2/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1
JEWJRMKHSMTXPP-WZHZPDAFSA-L
1344.38230
1343.58780
[H][C@]12[C@H](CC(N)=O)[C@@]3(C)CCC(=O)NC[C@@H](C)OP([O-])(=O)O[C@H]4[C@@H](O)[C@H](O[C@@H]4CO)n4c[n+](c5cc(C)c(C)cc45)[Co-3]456(C)N1C3=C(C)C1=[N+]4C(=CC3=[N+]5C(=C(C)C4=[N+]6[C@]2(C)[C@@](C)(CC(N)=O)[C@@H]4CCC(N)=O)[C@@](C)(CC(N)=O)[C@@H]3CCC(N)=O)C(C)(C)[C@@H]1CCC(N)=O
CHEBI:25291
CHEBI:48831
CHEBI:6869
CAS:13422-55-4
COMe:MOL000085
DrugBank:DB03614
Gmelin:124528
KEGG:C06453
KEGG:D03246
PDBeChem:COB
Coalpha-[alpha-(5,6-dimethylbenzimidazolyl)]-Cobeta-methylcobamide
Methylcobalamin
methylcobalamin
chebi_ontology
CO-METHYLCOBALAMIN
MeCbl
mecobalamin
methylcob(III)alamin
CHEBI:28115
methylcobalamin
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
0
C6H10OS2
InChI=1S/C6H10OS2/c1-3-5-8-9(7)6-4-2/h3-4H,1-2,5-6H2
JDLKFOPOAOFWQN-UHFFFAOYSA-N
162.27500
162.01731
C=CCSS(=O)CC=C
CHEBI:22356
CHEBI:2595
Beilstein:1752823
CAS:539-86-6
KEGG:C07600
KNApSAcK:C00001242
Allicin
S-allyl prop-2-ene-1-sulfinothioate
chebi_ontology
2-Propene-1-sulfinothioic acid S-2-propenyl ester
thio-2-propene-1-sulfinic acid S-allyl ester
CHEBI:28411
allicin
0
Cu
InChI=1S/Cu
RYGMFSIKBFXOCR-UHFFFAOYSA-N
63.54600
62.92960
[Cu]
CHEBI:23376
CHEBI:3874
CAS:7440-50-8
Gmelin:16269
KEGG:C00070
WebElements:Cu
copper
chebi_ontology
29Cu
Copper
Cu
Kupfer
cobre
copper
cuivre
cuprum
CHEBI:28694
copper atom
A primary amino compound that is the 5-hydroxy derivative of tryptamine.
0
C10H12N2O
InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
QZAYGJVTTNCVMB-UHFFFAOYSA-N
176.215
176.09496
C1=CC(=CC=2C(=CNC12)CCN)O
CHEBI:1420
CHEBI:26652
CHEBI:49894
Beilstein:143524
CAS:50-67-9
Gmelin:1861995
HMDB:HMDB0000259
KEGG:C00780
KNApSAcK:C00001429
LINCS:LSM-6589
MetaCyc:SEROTONIN
PDBeChem:SRO
PMID:18593914
PMID:22770225
PMID:24136337
Reaxys:143524
Wikipedia:Serotonin
3-(2-aminoethyl)-1H-indol-5-ol
SEROTONIN
Serotonin
chebi_ontology
3-(2-Aminoethyl)-1H-indol-5-ol
5-HT
5-Hydroxytryptamine
Enteramine
serotonine
thrombocytin
thrombotonin
CHEBI:28790
serotonin
An S-substituted L-cysteine where the S-substituent is specified as sulfanyl.
0
C3H7NO2S2
InChI=1S/C3H7NO2S2/c4-2(1-8-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1
XBKONSCREBSMCS-REOHCLBHSA-N
153.210
152.99182
C([C@H](N)C(=O)O)SS
CHEBI:21269
CHEBI:41628
CHEBI:41711
CHEBI:41718
CHEBI:41743
CHEBI:9551
CAS:5652-32-4
DrugBank:DB02761
KEGG:C01962
PDBeChem:CSS
PMID:10753862
PMID:10760256
PMID:12382038
PMID:12386155
PMID:12686149
PMID:14644425
PMID:16855700
PMID:9099686
PMID:9867829
RESID:AA0269
Reaxys:6381723
3-disulfanyl-L-alanine
chebi_ontology
(R)-2-amino-3-disulfanylpropanoic acid
2-amino-3-disulfanylpropanoic acid
2-amino-3-hydrodisulfidopropanoic acid
2-amino-3-hydropersulfidopropanoic acid
2-amino-3-persulfhydrylpropanoic acid
3-(thiosulfeno)-alanine
S-sulfanylcysteine
Thiocysteine
cysteine persulfide
cysteine perthiol
thiocysteine
CHEBI:28839
3-disulfanyl-L-alanine
0
Al
InChI=1S/Al
XAGFODPZIPBFFR-UHFFFAOYSA-N
26.98154
26.98154
[Al]
CHEBI:22471
CHEBI:2616
CAS:7429-90-5
DrugBank:DB01370
Gmelin:16248
KEGG:C06264
WebElements:Al
aluminium
chebi_ontology
13Al
Al
Aluminium
aluminio
aluminium
aluminum
CHEBI:28984
aluminium atom
An alpha-amino acid that is glycine in which the alpha-is substituted by a 3-guanidinopropyl group.
0
C6H14N4O2
InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)
ODKSFYDXXFIFQN-UHFFFAOYSA-N
174.20112
174.11168
NC(CCCNC(N)=N)C(O)=O
CHEBI:22616
CHEBI:2643
Beilstein:1725411
CAS:7200-25-1
KEGG:C02385
PMID:10848923
Reaxys:1725411
Wikipedia:L-Arginine
Arginine
arginine
chebi_ontology
2-Amino-5-guanidinovaleric acid
2-amino-5-(carbamimidamido)pentanoic acid
2-amino-5-guanidinopentanoic acid
Arginin
Harg
CHEBI:29016
arginine
+2
Fe
InChI=1S/Fe/q+2
CWYNVVGOOAEACU-UHFFFAOYSA-N
55.84500
55.93384
[Fe++]
CHEBI:13319
CHEBI:13321
CHEBI:21129
CHEBI:24876
CHEBI:34754
CHEBI:49599
CAS:15438-31-0
Gmelin:6845
KEGG:C14818
PDBeChem:FE2
Iron(2+)
iron(2+)
iron(2+) ion
iron(II) cation
chebi_ontology
FE (II) ION
Fe(2+)
Fe(II)
Fe2+
Ferrous ion
iron ion(2+)
CHEBI:29033
iron(2+)
A monoatomic monocation obtained from sodium.
+1
Na
InChI=1S/Na/q+1
FKNQFGJONOIPTF-UHFFFAOYSA-N
22.98977
22.98922
[Na+]
CHEBI:26717
CHEBI:49766
CHEBI:9175
CAS:17341-25-2
Gmelin:15196
KEGG:C01330
PDBeChem:NA
sodium cation
sodium(1+)
sodium(1+) ion
sodium(I) cation
chebi_ontology
Na(+)
Na+
SODIUM ION
CHEBI:29101
sodium(1+)
A monoatomic monocation obtained from potassium.
+1
K
InChI=1S/K/q+1
NPYPAHLBTDXSSS-UHFFFAOYSA-N
39.09830
38.96316
[K+]
CHEBI:26219
CHEBI:49685
CHEBI:8345
CAS:24203-36-9
Gmelin:15203
KEGG:C00238
KEGG:D08403
PDBeChem:K
potassium cation
potassium(1+)
potassium(1+) ion
potassium(I) cation
chebi_ontology
K(+)
K+
POTASSIUM ION
CHEBI:29103
potassium(1+)
+2
Zn
InChI=1S/Zn/q+2
PTFCDOFLOPIGGS-UHFFFAOYSA-N
65.39000
63.92804
[Zn++]
CHEBI:10113
CHEBI:27368
CHEBI:49972
CHEBI:49982
CAS:23713-49-7
Gmelin:6869
KEGG:C00038
PDBeChem:ZN
zinc(2+)
zinc(2+) ion
zinc(II) cation
chebi_ontology
ZINC ION
Zn(2+)
Zn(II)
Zn2+
dietary zinc
zinc cation
zinc, ion (Zn2+)
CHEBI:29105
zinc(2+)
+2
Ca
InChI=1S/Ca/q+2
BHPQYMZQTOCNFJ-UHFFFAOYSA-N
40.07800
39.96149
[Ca++]
CHEBI:22988
CHEBI:3308
CHEBI:48760
CAS:14127-61-8
Gmelin:6850
KEGG:C00076
PDBeChem:CA
calcium(2+)
calcium(2+) ion
calcium(II) cation
chebi_ontology
CALCIUM ION
Ca(2+)
Ca2+
calcium, doubly charged positive ion
CHEBI:29108
calcium(2+)
0
HO
InChI=1S/HO/h1H
TUJKJAMUKRIRHC-UHFFFAOYSA-N
17.00734
17.00274
[O][H]
CHEBI:24707
CHEBI:29190
CAS:3352-57-6
Gmelin:105
KEGG:C16844
hydridooxygen(.)
hydroxyl
oxidanyl
chebi_ontology
(OH)(.)
HO(.)
Hydrogen oxide
hydroxyl radical
CHEBI:29191
hydroxyl
A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of acetic acid.
-1
C2H3O2
InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1
QTBSBXVTEAMEQO-UHFFFAOYSA-M
59.04402
59.01385
CC([O-])=O
CHEBI:13704
CHEBI:22165
CHEBI:40480
Beilstein:1901470
CAS:71-50-1
DrugBank:DB03166
Gmelin:1379
KEGG:C00033
MetaCyc:ACET
PDBeChem:ACT
PMID:17190852
PMID:22211106
PMID:22371380
Reaxys:1901470
UM-BBD_compID:c0050
Wikipedia:Acetate
acetate
chebi_ontology
ACETATE ION
Azetat
CH3-COO(-)
Ethanoat
MeCO2 anion
acetic acid, ion(1-)
ethanoate
CHEBI:30089
acetate
A benzazepine that is benazeprilat in which the carboxy group of the 2-amino-4-phenylbutanoic acid moiety has been converted to the corresponding ethyl ester. It is used (generally as its hydrochloride salt) as a prodrug for the angiotensin-converting enzyme inhibitor benazeprilat in the treatment of hypertension and heart failure.
0
C24H28N2O5
InChI=1S/C24H28N2O5/c1-2-31-24(30)20(14-12-17-8-4-3-5-9-17)25-19-15-13-18-10-6-7-11-21(18)26(23(19)29)16-22(27)28/h3-11,19-20,25H,2,12-16H2,1H3,(H,27,28)/t19-,20-/m0/s1
XPCFTKFZXHTYIP-PMACEKPBSA-N
424.48950
424.19982
CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCc2ccccc2N(CC(O)=O)C1=O
CAS:86541-75-5
DrugBank:DB00542
Drug_Central:299
HMDB:HMDB0014682
KEGG:C06843
KEGG:D07499
LINCS:LSM-5609
MetaCyc:CPD-15329
PMID:25224804
PMID:25738503
PMID:25784709
PMID:25912588
Patent:EP72352
Patent:US4410520
Reaxys:4302258
Wikipedia:Benazepril
Benazepril
[(3S)-3-{[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino}-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]acetic acid
chebi_ontology
1H-1-Benzazepine-1-acetic acid, 3-((1-(ethoxycarbonyl)-3-phenylpropyl)amino)-2,3,4,5-tetrahydro-2-oxo-, (S-(R*,R*))-
benazepril
benazeprilum
CHEBI:3011
benazepril
0
Li
InChI=1S/Li
WHXSMMKQMYFTQS-UHFFFAOYSA-N
6.94100
7.01600
[Li]
CAS:7439-93-2
WebElements:Li
lithium
chebi_ontology
3Li
Li
Lithium
lithium
litio
CHEBI:30145
lithium atom
CHEBI:13613
CHEBI:26918
chebi_ontology
tetrahydropteridines
tetrahydropterins
CHEBI:30436
tetrahydropterin
A compound in which a hydroxy group, -OH, is attached to a saturated carbon atom.
0
HOR
17.007
17.00274
O[*]
CHEBI:13804
CHEBI:22288
CHEBI:2553
KEGG:C00069
Alcohol
alcohols
chebi_ontology
an alcohol
CHEBI:30879
alcohol
Any member of a group of hydroxy-5beta-cholanic acids occuring in bile, where they are present as the sodium salts of their amides with glycine or taurine. In mammals bile acids almost invariably have 5beta-configuration.
KEGG:C01558
Bile acid
chebi_ontology
5beta-bile acid
5beta-bile acids
Bile salt
Gallensaeure
Gallensaeuren
bile acids
CHEBI:3098
bile acid
An N-arylpiperazine that is piperazine substituted by a 4-[(2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)oxy]butyl group at position 1 and by a 2,3-dichlorophenyl group at position 4. It is an antipsychotic drug used for the treatment of Schizophrenia, and other mood disorders.
0
C23H27Cl2N3O2
InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
CEUORZQYGODEFX-UHFFFAOYSA-N
448.390
447.14803
ClC1=C(Cl)C(=CC=C1)N1CCN(CCCCOC2=CC=C3CCC(=O)NC3=C2)CC1
CAS:129722-12-9
Chemspider:54790
DrugBank:DB01238
Drug_Central:242
FooDB:FDB004879
HMDB:HMDB0005042
KEGG:C12564
KEGG:D01164
LINCS:LSM-5776
PDBeChem:9SC
PMID:12063084
PMID:12784105
PMID:14998222
PMID:15019558
PMID:15189766
PMID:15257633
PMID:15825673
PMID:16401666
PMID:16508892
PMID:16554739
PMID:16648324
PMID:16880478
PMID:17115868
PMID:17472545
PMID:17501690
PMID:18021764
PMID:18646161
PMID:18720421
PMID:18765484
PMID:18788833
PMID:19412463
PMID:19956463
PMID:20201815
PMID:30292748
PMID:30411049
PMID:30856161
PMID:31152368
PMID:31320322
PMID:32891516
PMID:33064050
PMID:33347031
Patent:EP367141
Patent:US5006528
Wikipedia:Aripiprazole
7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}-3,4-dihydroquinolin-2(1H)-one
chebi_ontology
7-(4-(4-(2,3-dichlorophenyl)-1-piperazinyl)butyloxy)-3,4-dihydro-2(1H)-quinolinone
7-[4-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}-1,2,3,4-tetrahydroquinolin-2-one
Abilify
Abilify Discmelt
Abilify Maintena
Abilify MyCite
Abilitat
Arpizol
Asprito
Discmelt
OPC 14597
OPC 31
OPC-14597
OPC-31
Pripiprazole
aripiprazol
aripiprazole
aripiprazolum
CHEBI:31236
aripiprazole
0
C23H30FN3
InChI=1S/C23H30FN3/c1-2-26-13-15-27(16-14-26)23-17-21(18-9-11-19(24)12-10-18)20-7-5-3-4-6-8-22(20)25-23/h9-12,17H,2-8,13-16H2,1H3
XVGOZDAJGBALKS-UHFFFAOYSA-N
367.504
367.24238
FC1=CC=C(C=C1)C=2C3=C(N=C(C2)N4CCN(CC4)CC)CCCCCC3
CAS:132810-10-7
Drug_Central:388
KEGG:D01176
Blonanserin
chebi_ontology
AD 5423
AD-5423
lonasen
CHEBI:31296
Blonanserin
A member of the class of 1,4-benzoquinones which is substituted by methoxy groups at positions 2 and 3, by a methyl group at positions 5, and by a 10-hydroxydecyl group at positions 6. Initially developed for the treatment of Alzheimer's disease, benefits were modest; it was subsequently found to be of benefit for the symptomatic treatment of Friedreich's ataxia.
0
C19H30O5
InChI=1S/C19H30O5/c1-14-15(12-10-8-6-4-5-7-9-11-13-20)17(22)19(24-3)18(23-2)16(14)21/h20H,4-13H2,1-3H3
JGPMMRGNQUBGND-UHFFFAOYSA-N
338.444
338.20932
COC1=C(OC)C(=O)C(CCCCCCCCCCO)=C(C)C1=O
CAS:58186-27-9
Chemspider:3558
DrugBank:DB09081
Drug_Central:1416
KEGG:D01750
LINCS:LSM-5505
PMID:11207459
PMID:15374364
PMID:18045357
PMID:18710357
PMID:19283347
PMID:19283350
PMID:20955109
PMID:22269948
PMID:23859348
PMID:2669658
PMID:30726629
PMID:32111141
PMID:33247801
PMID:33254077
PMID:33628024
PMID:7981485
PMID:7988944
Patent:DE2519730
Patent:US4271083
Reaxys:2001459
Wikipedia:Idebenone
2-(10-hydroxydecyl)-5,6-dimethoxy-3-methyl-1,4-benzoquinone
chebi_ontology
2,3-dimethoxy-5-methyl-6-(10'-hydroxydecyl)-1,4-benzoquinone
2-(10-hydroxydecyl)-5,6-dimethoxy-3-methyl-p-benzoquinone
2-(10-hydroxydecyl)-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione
6-(10-hydroxydecyl)-2,3-dimethoxy-5-methyl-1,4-benzoquinone
6-(10-hydroxydecyl)-2,3-dimethoxy-5-methyl-p-benzoquinone
CV 2619
CV-2619
Raxone
idebenona
idebenone
idebenonum
CHEBI:31687
idebenone
A member of the class of benzamides obtained from formal condensation between the carboxy group of 2-methoxy-5-sulfamoylbenzoic acid and the primary amino group of (1-ethylpyrrolidin-2-yl)methylamine.
0
C15H23N3O4S
InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)
BGRJTUBHPOOWDU-UHFFFAOYSA-N
341.42600
341.14093
CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(N)(=O)=O
CAS:15676-16-1
DrugBank:DB00391
Drug_Central:2537
KEGG:D01226
LINCS:LSM-5080
PMID:16327907
PMID:16924461
PMID:17912501
PMID:17942035
PMID:18757738
PMID:18985321
PMID:19370694
PMID:19546258
PMID:19672580
PMID:19864199
PMID:19941957
PMID:20061345
PMID:20091661
PMID:20177884
PMID:20304506
PMID:20305607
PMID:20538381
PMID:20599913
PMID:20875676
Patent:DE2903891
Patent:US3342826
Reaxys:494008
Wikipedia:Sulpiride
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide
chebi_ontology
(+-)-sulpiride
5-(Aminosulfonyl)-N-((1-ethyl-2-pyrrolidinyl)methyl)-2-methoxybenzamide
N-((1-Ethyl-2-pyrrolidinyl)methyl)-2-methoxy-5-sulfamoylbenzamide
N-((1-Ethyl-2-pyrrolidinyl)methyl)-5-sulfamoyl-o-anisamide
Sulpirid
Sulpyrid
sulpirida
sulpiride
sulpiridum
CHEBI:32168
sulpiride
A thienothiazine-derived monocarboxylic acid amide obtained by formal condensation of the carboxy group of 4-hydroxy-2-methylthieno[2,3-e][1,2]thiazine-3-carboxylic acid 1,1-dioxide with the amino group of 2-aminopyridine. Used for the treatment of pain and inflammation in osteoarthritis and rheumatoid arthritis. It is also indicated for short term treatment of acute musculoskeletal disorders including strains, sprains and other soft-tissue injuries.
0
C13H11N3O4S2
InChI=1S/C13H11N3O4S2/c1-16-10(13(18)15-9-4-2-3-6-14-9)11(17)12-8(5-7-21-12)22(16,19)20/h2-7,17H,1H3,(H,14,15,18)
LZNWYQJJBLGYLT-UHFFFAOYSA-N
337.37400
337.01910
CN1C(C(=O)Nc2ccccn2)=C(O)c2sccc2S1(=O)=O
CAS:59804-37-4
DrugBank:DB00469
Drug_Central:2595
KEGG:D01767
PMID:21129461
PMID:21327813
PMID:21682312
PMID:21712619
PMID:21777594
PMID:21929527
PMID:21981557
PMID:22095696
PMID:22182582
PMID:22306394
PMID:22675955
PMID:22841852
PMID:22876956
PMID:23204620
PMID:23273940
PMID:23340327
PMID:23480456
PMID:23656309
PMID:23932198
PMID:24037655
PMID:24093711
PMID:28166217
Patent:US2008014272
Patent:US4687766
Reaxys:572193
Wikipedia:Tenoxicam
4-hydroxy-2-methyl-N-(pyridin-2-yl)-2H-thieno[2,3-e][1,2]thiazine-3-carboxamide 1,1-dioxide
chebi_ontology
Mobiflex
Tilcotil
tenoxicam
tenoxicamum
CHEBI:32192
tenoxicam
An amide is a derivative of an oxoacid RkE(=O)l(OH)m (l =/= 0) in which an acidic hydroxy group has been replaced by an amino or substituted amino group.
CHEBI:22473
CHEBI:2633
KEGG:C00241
Amide
amides
chebi_ontology
CHEBI:32988
amide
A biochemical role played by any micronutrient that is an organic compound. Vitamins are present in foods in small amounts and are essential to normal metabolism and biochemical functions, usually as coenzymes. The term "vitamines" (from vita + amines) was coined in 1912 by Casimir Funk, who believed that these compounds were amines.
CHEBI:10004
CHEBI:27305
Wikipedia:Vitamin
chebi_ontology
vitamin
vitamina
vitaminas
vitamine
vitamines
vitamins
vitaminum
CHEBI:33229
vitamin (role)
Intended use of the molecular entity or part thereof by humans.
chebi_ontology
CHEBI:33232
application
Any member of a group of fat-soluble chromanols that exhibit biological activity against vitamin E deficiency. The vitamers in this class consists of a chroman-6-ol core which is substituted at position 2 by a methyl group and (also at position 2) either a saturated or a triply-unsaturated hydrocarbon chain consisting of three isoprenoid units. The major function of vitamin E is to act as a natural antioxidant by scavenging free radicals and molecular oxygen.
MetaCyc:Vitamin-E
PMID:33684201
PMID:33847203
PMID:33896432
PMID:34277234
PMID:34278890
PMID:7898412
PMID:7901680
Wikipedia:Vitamin_E
vitamin E
chebi_ontology
vitamin E vitamer
vitamin E vitamers
vitamin-E
vitamins E
CHEBI:33234
vitamin E
chebi_ontology
oxoacid derivatives
CHEBI:33241
oxoacid derivative
A chemical entity constituting the smallest component of an element having the chemical properties of the element.
CHEBI:22671
CHEBI:23907
atom
chebi_ontology
atome
atomo
atoms
atomus
element
elements
CHEBI:33250
atom
A derivative of an oxoacid RkE(=O)l(OH)m (l =/= 0) in which an acidic hydroxy group has been replaced by an amino or substituted amino group.
primary amide
primary amides
chebi_ontology
CHEBI:33256
primary amide
An organosulfur compound is a compound containing at least one carbon-sulfur bond.
CHEBI:23010
CHEBI:25714
Wikipedia:Organosulfur_compounds
organosulfur compound
chebi_ontology
organosulfur compounds
CHEBI:33261
organosulfur compound
chebi_ontology
chemical messenger
CHEBI:33280
molecular messenger
A heteroorganic entity is an organic molecular entity in which carbon atoms or organic groups are bonded directly to one or more heteroatoms.
chebi_ontology
heteroorganic entities
organoelement compounds
CHEBI:33285
heteroorganic entity
A molecular entity containing one or more atoms of an alkali metal.
chebi_ontology
alkali metal molecular entities
CHEBI:33296
alkali metal molecular entity
A p-block molecular entity containing any pnictogen.
pnictogen molecular entity
chebi_ontology
pnictogen molecular entities
CHEBI:33302
pnictogen molecular entity
Any p-block molecular entity containing a chalcogen.
chalcogen molecular entity
chebi_ontology
chalcogen compounds
chalcogen molecular entities
CHEBI:33304
chalcogen molecular entity
An ester of a carboxylic acid, R(1)C(=O)OR(2), where R(1) = H or organyl and R(2) = organyl.
0
CO2R2
44.010
43.98983
[*]C(=O)O[*]
CHEBI:13204
CHEBI:23028
CHEBI:3408
KEGG:C02391
Wikipedia:Ester
Carboxylic ester
carboxylic esters
chebi_ontology
a carboxylic ester
carboxylic acid esters
CHEBI:33308
carboxylic ester
Any monosaccharide containing an alcoholic hydroxy group esterified with phosphoric acid.
CHEBI:15132
CHEBI:25406
CHEBI:26086
CHEBI:9320
KEGG:C00934
PMID:18186488
phospho sugar
chebi_ontology
monosaccharide phosphates
phospho sugars
phosphorylated sugar
phosphorylated sugars
phosphosugar
phosphosugars
CHEBI:33447
phospho sugar
4-(2-Aminoethyl)pyrocatechol [4-(2-aminoethyl)benzene-1,2-diol] and derivatives formed by substitution.
0
C8H9NO2R2
151.163
151.06333
CHEBI:23056
CHEBI:3468
KEGG:C02012
Catecholamine
catecholamines
chebi_ontology
catecholamines
CHEBI:33567
catecholamine
A catecholamine in which C-1 of the aminoethyl side-chain is hydroxy-substituted.
0
C8H11NO3
InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2
SFLSHLFXELFNJZ-UHFFFAOYSA-N
169.17788
169.07389
NCC(O)c1ccc(O)c(O)c1
Beilstein:2210994
CAS:138-65-8
Gmelin:863925
LINCS:LSM-5181
4-(2-amino-1-hydroxyethyl)benzene-1,2-diol
chebi_ontology
noradrenalina
norepinephrine
CHEBI:33569
noradrenaline
A carbon oxoacid acid carrying at least one -C(=O)OH group and having the structure RC(=O)OH, where R is any any monovalent functional group. Carboxylic acids are the most common type of organic acid.
0
CHO2R
45.01740
44.99765
OC([*])=O
CHEBI:13428
CHEBI:13627
CHEBI:23027
PMID:17147560
PMID:18433345
Wikipedia:Carboxylic_acid
carboxylic acid
carboxylic acids
chebi_ontology
Carbonsaeure
Carbonsaeuren
Karbonsaeure
RC(=O)OH
acide carboxylique
acides carboxyliques
acido carboxilico
acidos carboxilicos
CHEBI:33575
carboxylic acid
A molecular entity containing one or more atoms from any of groups 1, 2, 13, 14, 15, 16, 17, and 18 of the periodic table.
chebi_ontology
main group compounds
main group molecular entities
CHEBI:33579
main group molecular entity
carbon group molecular entity
chebi_ontology
carbon group molecular entities
CHEBI:33582
carbon group molecular entity
Any molecule that consists of a series of atoms joined together to form a ring.
Wikipedia:Cyclic_compound
chebi_ontology
cyclic compounds
CHEBI:33595
cyclic compound
A cyclic compound having as ring members atoms of the same element only.
homocyclic compound
homocyclic compounds
chebi_ontology
isocyclic compounds
CHEBI:33597
homocyclic compound
A homocyclic compound in which all of the ring members are carbon atoms.
carbocyclic compound
carbocyclic compounds
chebi_ontology
carbocycle
CHEBI:33598
carbocyclic compound
chebi_ontology
hydrogen compounds
hydrogen molecular entities
CHEBI:33608
hydrogen molecular entity
chebi_ontology
polycyclic compounds
CHEBI:33635
polycyclic compound
A molecule that features two fused rings.
chebi_ontology
bicyclic compounds
CHEBI:33636
bicyclic compound
A cyclically conjugated molecular entity with a stability (due to delocalization) significantly greater than that of a hypothetical localized structure (e.g. Kekule structure) is said to possess aromatic character.
aromatic compounds
aromatic molecular entity
chebi_ontology
aromatics
aromatische Verbindungen
CHEBI:33655
aromatic compound
chebi_ontology
organic aromatic compounds
CHEBI:33659
organic aromatic compound
chebi_ontology
monocyclic compounds
CHEBI:33661
monocyclic compound
heteromonocyclic compound
heteromonocyclic compounds
chebi_ontology
CHEBI:33670
heteromonocyclic compound
A polycyclic compound in which at least one of the rings contains at least one non-carbon atom.
heteropolycyclic compounds
chebi_ontology
polyheterocyclic compounds
CHEBI:33671
heteropolycyclic compound
A bicyclic compound in which at least one of the rings contains at least one skeletal heteroatom.
heterobicyclic compounds
chebi_ontology
CHEBI:33672
heterobicyclic compound
An s-block molecular entity is a molecular entity containing one or more atoms of an s-block element.
s-block molecular entity
chebi_ontology
s-block compounds
s-block molecular entities
CHEBI:33674
s-block molecular entity
A main group molecular entity that contains one or more atoms of a p-block element.
chebi_ontology
p-block compounds
p-block molecular entities
p-block molecular entitiy
CHEBI:33675
p-block molecular entity
A macromolecule formed by a living organism.
biopolymer
chebi_ontology
Biopolymere
biomacromolecules
biopolymers
CHEBI:33694
biomacromolecule
chebi_ontology
genetically encoded biomacromolecules
genetically encoded biopolymers
information biomacromolecules
information biopolymers
information macromolecule
information macromolecules
CHEBI:33695
information biomacromolecule
High molecular weight, linear polymers, composed of nucleotides containing ribose and linked by phosphodiester bonds; RNA is central to the synthesis of proteins.
CAS:63231-63-0
ribonucleic acid
ribonucleic acids
chebi_ontology
RNA
RNS
Ribonukleinsaeure
pentosenucleic acids
ribonucleic acids
ribose nucleic acid
yeast nucleic acid
CHEBI:33697
ribonucleic acid
A L-proline derivative in which L-proline is substituted on nitrogen with a (2S)-2-methyl-3-sulfanylpropanoyl group. It is used as an anti-hypertensive ACE inhibitor drug.
0
C9H15NO3S
InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1
FAKRSMQSSFJEIM-RQJHMYQMSA-N
217.28500
217.07726
C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O
Beilstein:477887
CAS:62571-86-2
DrugBank:DB01197
Drug_Central:484
KEGG:D00251
LINCS:LSM-5648
PMID:23137627
PMID:23161035
PMID:23278692
PMID:23299024
PMID:23328620
PMID:23397376
PMID:23410042
PMID:23422724
PMID:23429803
PMID:23435971
PMID:2420897
Patent:US4046889
Patent:US4105776
Wikipedia:Captopril
1-[(2S)-2-methyl-3-sulfanylpropanoyl]-L-proline
chebi_ontology
(2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid
Acepress
Apopril
CP
Capoten
Captolane
Captopryl
Captoril
Cesplon
D-2-methyl-3-mercaptopropanoyl-L-proline
D-3-mercapto-2-methylpropanoyl-L-proline
Dilabar
Garranil
Hypertil
L-Captopril
Lopirin
Tenosbon
TensoboInOwln
Tensoprel
captopril
captoprilum
CHEBI:3380
captopril
An organic compound having at least one hydroxy group attached to a carbon atom.
CHEBI:64710
hydroxy compounds
chebi_ontology
organic alcohol
organic hydroxy compounds
CHEBI:33822
organic hydroxy compound
Any organic molecule that consists of atoms connected in the form of a ring.
chebi_ontology
organic cyclic compounds
CHEBI:33832
organic cyclic compound
A heterocyclic compound formally derived from an arene by replacement of one or more methine (-C=) and/or vinylene (-CH=CH-) groups by trivalent or divalent heteroatoms, respectively, in such a way as to maintain the continuous pi-electron system characteristic of aromatic systems and a number of out-of-plane pi-electrons corresponding to the Hueckel rule (4n+2).
heteroarenes
chebi_ontology
hetarenes
CHEBI:33833
heteroarene
chebi_ontology
benzenoid aromatic compounds
benzenoid compound
CHEBI:33836
benzenoid aromatic compound
A macromolecule is a molecule of high relative molecular mass, the structure of which essentially comprises the multiple repetition of units derived, actually or conceptually, from molecules of low relative molecular mass.
Wikipedia:Macromolecule
macromolecule
chebi_ontology
macromolecules
polymer
polymer molecule
polymers
CHEBI:33839
macromolecule
Organic aromatic compounds having one or more hydroxy groups attached to a benzene or other arene ring.
0
C6HOR5
89.072
89.00274
C1(=C(C(=C(C(=C1*)*)*)*)*)O
CHEBI:13664
CHEBI:13825
CHEBI:25969
CHEBI:2857
KEGG:C15584
MetaCyc:Phenols
Wikipedia:Phenols
phenols
chebi_ontology
Aryl alcohol
a phenol
arenols
CHEBI:33853
phenols
A dibenzoazepine that is 5H-dibenzo[b,f]azepine carrying a carbamoyl substituent at the azepine nitrogen, used as an anticonvulsant.
0
C15H12N2O
InChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18)
FFGPTBGBLSHEPO-UHFFFAOYSA-N
236.26860
236.09496
NC(=O)N1c2ccccc2C=Cc2ccccc12
CHEBI:115086
Beilstein:1246090
CAS:298-46-4
DrugBank:DB00564
Drug_Central:489
HMDB:HMDB0014704
KEGG:C06868
KEGG:D00252
LINCS:LSM-3610
PMID:10411478
PMID:11071486
PMID:11129121
PMID:11240598
PMID:11475584
PMID:11595204
PMID:11888243
PMID:11891095
PMID:12073283
PMID:12228880
PMID:12475188
PMID:12749779
PMID:12799799
PMID:12957643
PMID:14160216
PMID:14572037
PMID:14581052
PMID:14713026
PMID:14723323
PMID:15165631
PMID:15557493
PMID:15665743
PMID:15683742
PMID:15739418
PMID:15820347
PMID:15850602
PMID:16033627
PMID:16150575
PMID:16245817
PMID:16380297
PMID:16394456
PMID:16437428
PMID:16538175
PMID:16562645
PMID:16616830
PMID:16990009
PMID:17027750
PMID:17028629
PMID:17207414
PMID:17582711
PMID:17873967
PMID:17949959
PMID:18163657
PMID:18415623
PMID:18637155
PMID:18652684
PMID:18656520
PMID:18969759
PMID:19135617
PMID:19473818
PMID:19741433
PMID:19921623
PMID:22322005
PMID:27967303
PMID:7602118
Patent:US2004220187
Patent:US2007167446
Patent:US2011177136
Patent:US2011245283
Patent:US2948718
Reaxys:1246090
Wikipedia:Carbamazepine
5H-dibenzo[b,f]azepine-5-carboxamide
chebi_ontology
5-Carbamoyl-5H-dibenz(b,f)azepine
5-Carbamoyl-5H-dibenzo(b,f)azepine
5-Carbamyl-5H-dibenzo(b,f)azepine
5-carbamoyl-5H-dibenz[b,f]azepine
5H-Dibenz(b,f)azepine-5-carboxamide
Carbamazepen
Carnexiv
carbamazepina
carbamazepine
carbamazepinum
CHEBI:3387
carbamazepine
A mixture of hydrogenated ergot alkaloids consisting of the methanesulfonic acid salts of dihydroergocornine (R = CHMe2), dihydroergocristine (R = CH2Ph), and alpha- and beta-dihydroergocryptine (R = CH2CHMe2 and CH(Me)Et, respectively). It is used for the symptomatic treatment of mild to moderate dementia in the elderly, although its value is not established.
0
C29H38N5O8SR
616.708
616.24411
C1=CC=C2NC=C3C[C@@]4([C@](C[C@H](CN4C)C(N[C@]5(C(N6[C@@](O5)([C@]7(N(C([C@@H]6*)=O)CCC7)[H])O)=O)C(C)C)=O)(C1=C32)[H])[H].OS(C)(=O)=O
Beilstein:8896265
CAS:8067-24-1
DrugBank:DB01049
KEGG:C14055
KEGG:D02268
chebi_ontology
Dihydroergotoxine mesilate
Dihydroergotoxine mesylate
Ergoloid mesylates
co-dergocrine mesilate
co-dergocrine mesylate
co-dergocrine methanesulfonate
codergocrine mesilate
codergocrine mesylate
codergocrine methanesulfonate
dihydroergotoxine methanesulfonate
dihydroergotoxine methanesulfonates
dihydroergotoxine monomethanesulfonate
dihydrogenated ergot alkaloids
ergoloid mesylates
ergoloid methanesulfonate
ergoloid methanesulfonates
hydrogenated ergot alkaloids
CHEBI:34706
ergoloid mesylate
chebi_ontology
aldose phosphates
CHEBI:35131
aldose phosphate
A substance that diminishes the rate of a chemical reaction.
inhibitor
chebi_ontology
inhibidor
inhibiteur
inhibitors
CHEBI:35222
inhibitor
Any heteroorganic entity containing at least one carbon-nitrogen bond.
organonitrogen compounds
chebi_ontology
organonitrogens
CHEBI:35352
organonitrogen compound
An amide of a sulfonic acid RS(=O)2NR'2.
0
NO2SR3
78.07100
77.96497
[*]S(=O)(=O)N([*])[*]
PMID:11498380
PMID:2434548
PMID:26811268
PMID:26832216
Wikipedia:Sulfonamide
sulfonamides
chebi_ontology
sulfonamides
CHEBI:35358
sulfonamide
Any aliphatic monocarboxylic acid derived from or contained in esterified form in an animal or vegetable fat, oil or wax.
0
CHO2R
45.01740
44.99765
OC([*])=O
CHEBI:13633
CHEBI:24024
CHEBI:4984
KEGG:C00162
PMID:14287444
PMID:14300208
PMID:14328676
Wikipedia:Fatty_acid
Fatty acid
fatty acids
chebi_ontology
Fettsaeure
Fettsaeuren
acide gras
acides gras
acido graso
acidos grasos
fatty acids
CHEBI:35366
fatty acid
Antidepressants are mood-stimulating drugs used primarily in the treatment of affective disorders and related conditions.
chebi_ontology
antidepressant drugs
antidepressants
thymoanaleptics
thymoleptic drugs
thymoleptics
CHEBI:35469
antidepressant
A class of drugs producing both physiological and psychological effects through a variety of mechanisms involving the central nervous system.
chebi_ontology
CNS agent
CNS drugs
central nervous system agents
CHEBI:35470
central nervous system drug
A loosely defined grouping of drugs that have effects on psychological function.
Wikipedia:Psychotropic_drug
chebi_ontology
psychoactive agent
psychoactive drugs
psychopharmaceuticals
psychotropic drugs
CHEBI:35471
psychotropic drug
A substance that reduces or suppresses inflammation.
chebi_ontology
anti-inflammatory drugs
antiinflammatory agent
antiinflammatory drug
antiinflammatory drugs
CHEBI:35472
anti-inflammatory drug
Anxiolytic drugs are agents that alleviate anxiety, tension, and anxiety disorders, promote sedation, and have a calming effect without affecting clarity of consciousness or neurologic conditions.
chebi_ontology
anti-anxiety agents
anti-anxiety drugs
anxiolytic agents
anxiolytics
minor tranquilisers
minor tranquilizers
minor tranquilizing agents
CHEBI:35474
anxiolytic drug
An anti-inflammatory drug that is not a steroid. In addition to anti-inflammatory actions, non-steroidal anti-inflammatory drugs have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins.
Wikipedia:Non-steroidal_anti-inflammatory_drug
chebi_ontology
NSAID
NSAIDs
non-steroidal anti-inflammatory agent
non-steroidal anti-inflammatory drugs
CHEBI:35475
non-steroidal anti-inflammatory drug
Antipsychotic drugs are agents that control agitated psychotic behaviour, alleviate acute psychotic states, reduce psychotic symptoms, and exert a quieting effect.
chebi_ontology
Neuroleptikum
antipsychotic agents
antipsychotic drug
antipsychotic drugs
antipsychotics
antipsychotiques
grosser Tranquilizer
major tranquilizers
major tranquilizing agents
neuroleptic
neuroleptic agents
neuroleptics
neuroleptique
neuroleptiques
CHEBI:35476
antipsychotic agent
(3R,5S)-3,5-dihydroxyhept-6-enoic acid in which the (7E)-hydrogen is substituted by a 4-(4-fluorophenyl)-2,6-diisopropyl-5-(methoxymethyl)pyridin-3-yl group. Formerly used (as its sodium salt) to lower cholesterol and prevent cardiovascular disease, it was withdrawn from the market worldwide in 2001 following reports of a severe form of muscle toxicity.
0
C26H34FNO5
InChI=1S/C26H34FNO5/c1-15(2)25-21(11-10-19(29)12-20(30)13-23(31)32)24(17-6-8-18(27)9-7-17)22(14-33-5)26(28-25)16(3)4/h6-11,15-16,19-20,29-30H,12-14H2,1-5H3,(H,31,32)/b11-10+/t19-,20-/m1/s1
SEERZIQQUAZTOL-ANMDKAQQSA-N
459.55030
459.24210
COCc1c(nc(C(C)C)c(\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)c1-c1ccc(F)cc1)C(C)C
CHEBI:503465
Beilstein:8366578
CAS:145599-86-6
DrugBank:DB00439
Drug_Central:577
KEGG:C07966
KEGG:D07661
PMID:17560788
PMID:18155906
Wikipedia:Cerivastatin
(3R,5S,6E)-7-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)pyridin-3-yl]-3,5-dihydroxyhept-6-enoic acid
Cerivastatin
chebi_ontology
(3R,5S,6E)-7-(4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-bis(1-methylethyl)-3-pyridinyl)-3,5-dihydroxy-6-heptenoic acid
(3R,5S,6E)-7-(4-(p-fluorophenyl)-2,6-diisopropyl-5-(methoxymethyl)-3-pyridyl)-3,5-dihydroxy-6-heptenoic acid
(3R,5S,E)-7-(4-(4-fluorophenyl)-2,6-diisopropyl-5-(methoxymethyl)pyridin-3-yl)-3,5-dihydroxyhept-6-enoic acid
cerivastatin
cerivastatin acid
CHEBI:3558
cerivastatin
chebi_ontology
carbon oxoacids
oxoacids of carbon
CHEBI:35605
carbon oxoacid
0
C10H17NOS
InChI=1S/C10H17NOS/c1-8-12-10(7-13-8)6-11-4-2-9(10)3-5-11/h8-9H,2-7H2,1H3/t8?,10-/m1/s1
WUTYZMFRCNBCHQ-LHIURRSHSA-N
199.31412
199.10309
CC1O[C@@]2(CS1)CN1CCC2CC1
CAS:107233-08-9
DrugBank:DB00185
KEGG:D00661
KEGG:D07667
Wikipedia:Cevimeline
(2R)-2'-methylspiro[4-azabicyclo[2.2.2]octane-2,5'-[1,3]oxathiolane]
(2R)-2'-methylspiro[4-quinuclidine -2,5'-[1,3]oxathiolane]
chebi_ontology
2-Methyspiro(1,3-oxathiolane-5,3)quinuclidine
Sni 2011
cevimelina
cevimeline
cevimelinum
CHEBI:3568
cevimeline
A compound formally derived from an oxoacid RkE(=O)l(OH)m (l > 0) and an alcohol, phenol, heteroarenol, or enol by linking with formal loss of water from an acidic hydroxy group of the former and a hydroxy group of the latter.
CHEBI:23960
CHEBI:4859
KEGG:C00287
Wikipedia:Ester
Ester
chebi_ontology
esters
CHEBI:35701
ester
Any member of the group of lipids containing a common glycerol backbone to which at least one fatty acid-derived group is attached.
PMID:18606873
chebi_ontology
glycerolipids
CHEBI:35741
glycerolipid
An organosulfur compound having the structure RS(=O)2R (R =/= H).
sulfone
chebi_ontology
sulfones
CHEBI:35850
sulfone
chebi_ontology
imidazopyrimidines
CHEBI:35875
imidazopyrimidine
Any C22 polyunsaturated fatty acid containing six double bonds.
0
C22H32O2
328.489
328.24023
docosahexaenoic acid
chebi_ontology
DHA
docosahexaenoic acids
CHEBI:36005
docosahexaenoic acid
A family of polyunsaturated fatty acids that have in common a final carbon-carbon double bond in the n-6 position, i.e., the sixth bond from the methyl end of the fatty acid.
PMID:19035453
PMID:19136835
omega-6 fatty acid
chebi_ontology
omega-6 fatty acids
CHEBI:36009
omega-6 fatty acid
A biological macromolecule minimally consisting of one polypeptide chain synthesized at the ribosome.
CHEBI:13677
CHEBI:14911
proteins
chebi_ontology
CHEBI:36080
protein
Any glycerophospholipid having the polar alcohol inositol esterified to the phosphate group at the sn-3 position of the glycerol backbone.
CHEBI:26040
CHEBI:35770
PMID:14706866
chebi_ontology
GPI
glycerophosphoinositols
CHEBI:36315
glycerophosphoinositol
Any molecular entity consisting of more than one atom.
chebi_ontology
polyatomic entities
CHEBI:36357
polyatomic entity
phosphorus oxoacid derivative
chebi_ontology
CHEBI:36359
phosphorus oxoacid derivative
chebi_ontology
CHEBI:36360
phosphorus oxoacids and derivatives
A substituted phenothiazine in which the ring nitrogen at position 10 is attached to C-3 of an N,N-dimethylpropanamine moiety.
0
C17H19ClN2S
InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3
ZPEIMTDSQAKGNT-UHFFFAOYSA-N
318.86400
318.09575
CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12
Beilstein:289793
CAS:50-53-3
DrugBank:DB00477
Drug_Central:621
HMDB:HMDB0014620
KEGG:C06906
KEGG:D00270
LINCS:LSM-4017
PDBeChem:Z80
PMID:14354584
PMID:14404586
PMID:15170372
PMID:1650428
PMID:16653219
PMID:20825390
PMID:2427628
PMID:7192992
Patent:US2645640
Reaxys:289793
Wikipedia:Chlorpromazine
3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine
Chlorpromazine
chebi_ontology
3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethyl-1-propanamine
3-(2-chlorophenothiazin-10-yl)-N,N-dimethyl-propan-1-amine
Aminazine
CPZ
Chlorderazin
Chloropromazine
Chlorpromados
Contomin