Alzheimer's Disease Ontology (ADO) 2.0.1 Astghik Sargsyan Bide Zhang Philipp Wegner Stephan Gebel https://creativecommons.org/licenses/by/4.0/ Vanessa Lage-Rupprecht Alpha Tom Kodamullil 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. 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 A sign that arises in the early/preclinical stage of a disease early clue early hint early sign A disease stage at which a person may function independently. He or she may still drive, work and be a part of social activities. Despite this, the person may feel as if he or she is having memory lapses, such as forgetting familiar words or the location of everyday objects. https://www.alz.org/alzheimers-dementia/stages Early-stage Alzheimer's Disease (mild) A disease in the middle stage where the dementia symptoms are more pronounced. The person may confuse words, get frustrated or angry, and act in unexpected ways, such as refusing to bathe. Damage to nerve cells in the brain can also make it difficult for the person to express thoughts and perform routine tasks without assistance. https://www.alz.org/alzheimers-dementia/stages Middle-stage Alzheimer's Disease (moderate) A behavioral symptom of Alzheimer's disease that encompasses getting upset, worried, and angry more easily. Acting depressed or not interested in things or hiding things or believing that other people are hiding things. It also causes to imagining things that aren't there etc. https://www.nia.nih.gov/health/managing-personality-and-behavior-changes-alzheimers#:~:text=Common%20Changes%20in%20Personality%20and%20Behavior&text=Getting%20upset%2C%20worried%2C%20and%20angry,things%20that%20aren't%20there Personality and behavioral changes A disease at late stage where dementia symptoms are severe. Individuals lose the ability to respond to their environment, to carry on a conversation and, eventually, to control movement. They may still say words or phrases, but communicating pain becomes difficult. As memory and cognitive skills continue to worsen, significant personality changes may take place and individuals need extensive care. https://www.alz.org/alzheimers-dementia/stages Dementia-stage Alzheimer's Disease Late-stage Alzheimer's Disease(severe) A disease stage of Alzheimer's disease that begins long before any symptoms become apparent. The symptoms go unnoticed by the patients and people around them and this stage can last for years, possibly even decades. https://pubmed.ncbi.nlm.nih.gov/21514248/ preclinical Alzheimer preclinical stage of Alzheimer's disease A stage of Alzheimer's disease where symptoms appear such as concern regarding a change in cognition (raised either by the patient himself/herself or by an informant who knows the patient well), impairment in one or more cognitive domains, preservation of independence in functional abilities and other non-demented symptoms. https://pubmed.ncbi.nlm.nih.gov/21514249/ predementia phase of Alzheimer's disease mild cognitive impairment due to Alzheimer's disease A disease of which the patient at this stage suffer from memory loss, impaired ability to think, or making decisions that interferes with doing everyday activities. https://pubmed.ncbi.nlm.nih.gov/27307128/ dementia due to Alzheimer's disease An emotion milder than worry raised by either the patient, or the informant who knows the patient well, or from a skilled clinician observing, about cognitive changes in the patient. true https://pubmed.ncbi.nlm.nih.gov/21514249/ Modified definition concern regarding a change in cognition A symptom that entails mild problems performing complex functional tasks which they used to perform previously, such as paying bills, preparing a meal, or shopping. The person requires more time, is less efficient, and makes more errors at performing such activities than in the past. Nevertheless, the person generally maintains their independence of function in daily life. true https://pubmed.ncbi.nlm.nih.gov/21514249/ preservation of independence in functional abilities A mental impairment in the ability to learn and retain new information, or recall information about a specific event that has occurred at a specific time and place. memory impairment true https://pubmed.ncbi.nlm.nih.gov/21514249/ Modified definition impairment in episodic memory episodic memory impairment A memory test that controls attention and acquisition, by providing category cues in the learning process. true https://pubmed.ncbi.nlm.nih.gov/25062746/ FCSRT Test Free and Cued Selective Reminding Test A measure of confrontation naming that takes into account the finding that patients with dysnomia often have greater difficulties with the naming of low frequency objects and consists of 60 black and white line drawings of objects https://link.springer.com/referenceworkentry/10.1007/978-0-387-79948-3_869#:~:text=The%20Boston%20Naming%20Test%20(BNT,naming%20of%20low%20frequency%20objects. BNT Test Boston Naming Test A short screening test that evaluates language skills and it consists of Semantic verbal Fluency Tests (SFT) and Categorical verbal Fluency Tests (CFT). https://www.frontiersin.org/articles/10.3389/fpsyg.2019.02797/full verbal fluency test category and letter verbal fluency test A testing tool that uses a variety of simple and informal techniques, performed by clinicians. For example, the clinician can ask a patient to learn a street address and to recall it after a delay interval of a few minutes. true https://pubmed.ncbi.nlm.nih.gov/21514249/ informal cognitive testing A clinical tool that measures and evaluates cognition of the patient with certain time intervals while maintaining the consistency in parameters employed in testing. https://www.sciencedirect.com/science/article/pii/S2352872918300824 longitudinal cognitive evaluation A type of dementia which which the person meets the core clinical creteria for probable Alzheimer dementia. probable Alzheimer dementia https://pubmed.ncbi.nlm.nih.gov/21514250/ A symptom with which a patient may misunderstand the motives of the actions of their family, friends or others true https://pubmed.ncbi.nlm.nih.gov/21514250/ impaired reasoning A symptom including defficulty thinking of common words while speaking, hesitations, speech, spelling, and writing errors. true https://pubmed.ncbi.nlm.nih.gov/21514250/ impaired language functions A stage where symptoms have a gradual onset over months to years but with harmful effects, not sudden within hours or days. https://pubmed.ncbi.nlm.nih.gov/9546336/ insidious onset of dementia A symptom including impairment in learning and recalling of recently learned information, loss of memory, disorientation with time and space, lack of insight to their memory loss and being aware of their memory loss but not being able to understand why. https://hospitals.aku.edu/pakistan/diseases-and-conditions/Pages/amnestic-disorder.aspx amnestic symptom A symptom that is sufficiently mild that there is no evidence of a significant impairment in social or occupational functioning. true https://pubmed.ncbi.nlm.nih.gov/21514249/ non-demented cognitive impairment A type of Alzheimer dementia whic meets core clinical criteria for possible Alzheimer dementia https://www.nia.nih.gov/health/alzheimers-disease-diagnostic-guidelines possible Alzheimer dementia A stage where cognitive impiarment suddenly arises https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3331682/ sudden onset of cognitive impairment A biological process by which an individual has biomarker evidence of amyloid-beta accumulation with elevated tracer retention on PET amyloid imaging and/or low amyloid-beta 42 in CSF assay, but no detectable evidence of additional brain alterations suggestive of neurodegeneration or subtle cognitive and/or behavioral symptomatology. true https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3220946/ asymptomatic cerebral amyloidosis A result from clinical assessment that characterizes presence of abnormal amyloid found with cerebrospinal fluid (CSF) and/or positron emission tomography (PET) https://pubmed.ncbi.nlm.nih.gov/25713403/ amyloid positivity A ratio between amyloid-beta 42 and amyloid-beta 40. Decreased ratio of amyloid-beta 42/40 is a strong marker of Alzheimer's disease. https://www.svarlifescience.com/services/wieslab-diagnostic-services/997-l-beta-amyloid-ratio-42-40#:~:text=Beta%20amyloid%2040%20is%20the,even%20before%20clinical%20dementia%20occurs. amyloid-beta 42/amyloid-beta 40 ratio A technique used to determine the specific apolipoprotein E (APOE) genotypes in patients with type III hyperlipoproteinemia APOE genotyping Apolipoprotein E Genotyping APOE genotype test https://www.mayocliniclabs.com/test-catalog/Overview/35358 An inhibitor that interferes the chemical reaction of BACE1 beta-site APP cleaving enzyme 1 inhibitor BACE1 inhibitor A measurement that quantifies the amount of beta-secretase 1 (BACE1) normally found in blood or cerebrospinal fluid. The quantification of the amount of beta-secretase 1 in a sample, typicallly cerebrospinal fluid. Beta-secretase-1 is an aspartic-acid protease important in the formation of myelin sheaths in peripheral nerve cells, and is thought to have a role in Alzheimer's disease pathogenesis. Quantification of the amount of beta-secretase 1 in a sample, typicallly cerebrospinal fluid. Beta-secretase-1 is an aspartic-acid protease important in the formation of myelin sheaths in peripheral nerve cells, and is thought to have a role in Alzheimer's disease pathogenesis. beta-secretase 1 measurement https://pubmed.ncbi.nlm.nih.gov/31745860/ A test developed from cognitive assessments on 406 normal subjects and 342 mild AD patients in the CERAD (Consortium to Establish a Registry for AD) dataset. true https://pubmed.ncbi.nlm.nih.gov/14646030/ BAS (Brief Alzheimer Screen) Screening Test Brief Alzheimer Screen test A tool to assess cognitive functions in diverse neurological and psychiatric disorders, such as dementia, schizophrenia, depression, Parkinson's Disease. https://pubmed.ncbi.nlm.nih.gov/16085791/ CANTAB-Alz Cambridge Neuropsychological Test Automated Battery for Alzheimer disease A behavior of consuming caffeine-containing products such as coffee, tea, cacao, energy drinks true https://pubmed.ncbi.nlm.nih.gov/8603790/ caffeine consumption A tool used as a new 6-8 minute dementia screening, consisting of 5 short subtests, which is objective both in performance and evaluation. https://www.researchgate.net/publication/285702266_DemTect_A_new_screening_method_to_support_diagnosis_of_dementia DemTect screening test A behavior of consuming tabacco products https://www.alzheimers.org.uk/about-dementia/risk-factors-and-prevention/smoking-and-dementia#:~:text=It%20is%20known%20that%20smoking,the%20development%20of%20Alzheimer's%20disease. tobacco consumption A questionnaire comprised of multiple subscales evaluating everyday cognitive function true https://pubmed.ncbi.nlm.nih.gov/18590364/ Ecog questionnaire Everyday Cognition questionnaire A method used for assessment of primary degenerative dementia and delineation of its stages true https://pubmed.ncbi.nlm.nih.gov/7114305/ GDS scale Global Deterioration Scale Traumatic brain injury usually results from a violent blow or jolt to the head or body. An object that goes through brain tissue, such as a bullet or shattered piece of skull, also can cause traumatic brain injury. https://www.mayoclinic.org/diseases-conditions/traumatic-brain-injury/symptoms-causes/syc-20378557 traumatic brain injury A symptom of failure to communicate with others. https://pubmed.ncbi.nlm.nih.gov/23522497/ Inability to communicate A cognitive symptom of failure to recognize oneself's or family member's identity https://pubmed.ncbi.nlm.nih.gov/22553492/ Inability to recognize oneself or family A test that separates normal from MCI and demented elders in a prevalence-stratified sample https://www.omicsonline.org/the-memory-orientation-screening-test-most-accurately-separates-normal-from-mci-and-demented-elders-in-a-prevalence-stratified-sample-2161-0460.1000109.php?aid=11372 MOST test Memory Orientation Screening Test A screening examination that assesses cognition in a brief but quantitative fashion, uses independent tests to evaluate functioning within five major cognitive ability areas: language, constructions, memory, calculations, and reasoning. true https://pubmed.ncbi.nlm.nih.gov/3631786/ NCSE Neurobehavioral Cognitive Status Examination A questionaire with 10 items that can be easily administered by clinicians in mental impairment diagnosis true https://pubmed.ncbi.nlm.nih.gov/1159263/ SPMSQ Short Portable Mental Status Questionnaire (SPMSQ) An acupuncture method that involves pucture at bilateral Yingxiang and Yintang points true https://pubmed.ncbi.nlm.nih.gov/21717774/ Xiusanzhen A protein that is regarded as a general marker of neurodegeneration for evaluation in future population-based studies and represents the total tau concentration in a given sample. https://pubmed.ncbi.nlm.nih.gov/15178952/ total tau A protein that is phosphorylated through post-translational modification. Its accumulation reflects the formation of neurofibrillary tangles, synaptic impairment, and neuronal dysfunction. https://pubmed.ncbi.nlm.nih.gov/32812023/ phosphorylated tau a signaling process that is initiated through binding and activation of its cell-surface receptor and initiates a cascade of phosphorylation and dephosphorylation events, second-messenger generation, and protein-protein interactions that result in diverse metabolic events in almost every tissue https://www.sciencedirect.com/topics/biochemistry-genetics-and-molecular-biology/insulin-signaling insulin signalling A signaling process through which neurotrophins modulate long-term potentiation, dendritic complexity and axon branching, processes that promote synaptic efficacy and thus learning and memory. true https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5295469/ neurotrophic signalling An internal signaling process in response to extracellular signals through which phosphatidylinositols undergo rapid turnover and generate second messengers including diacylglycerol, inositol 1,4,5-trisphosphate, phosphatidylinositol 3,4-bisphosphate (PtdIns 3,4P2) and phosphatidylinositol 3,4,5-trisphosphate. https://pubmed.ncbi.nlm.nih.gov/9599410 phospatidylinositol signalling 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 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] 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 &gt; 1 independent continuants c1, … cn which are not spatial regions are such that for all 1 i &lt; j n, ci and cj share no common parts, are such that for each 1 i n, b s-depends_on ci at every time t during the course of b’s existence (axiom label in BFO2 Reference: [131-004]) b is a specifically dependent continuant = Def. b is a continuant & there is some independent continuant c which is not a spatial region and which is such that b s-depends_on c at every time t during the course of b’s existence. (axiom label in BFO2 Reference: [050-003]) Specifically dependent continuant doesn't have a closure axiom because the subclasses don't necessarily exhaust all possibilites. We're not sure what else will develop here, but for example there are questions such as what are promises, obligation, etc. (iff (RelationalSpecificallyDependentContinuant a) (and (SpecificallyDependentContinuant a) (forall (t) (exists (b c) (and (not (SpatialRegion b)) (not (SpatialRegion c)) (not (= b c)) (not (exists (d) (and (continuantPartOfAt d b t) (continuantPartOfAt d c t)))) (specificallyDependsOnAt a b t) (specificallyDependsOnAt a c t)))))) // axiom label in BFO2 CLIF: [131-004] (iff (SpecificallyDependentContinuant a) (and (Continuant a) (forall (t) (if (existsAt a t) (exists (b) (and (IndependentContinuant b) (not (SpatialRegion b)) (specificallyDependsOnAt a b t))))))) // axiom label in BFO2 CLIF: [050-003] specifically dependent continuant (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] 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 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 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] 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 Largactil N-(3-dimethylaminopropyl)-3-chlorophenothiazine Thorazine chlorpromazine chlorpromazinum clorpromazina CHEBI:3647 chlorpromazine 0 C18H18ClNS InChI=1S/C18H18ClNS/c1-20(2)11-5-7-14-15-6-3-4-8-17(15)21-18-10-9-13(19)12-16(14)18/h3-4,6-10,12H,5,11H2,1-2H3 WSPOMRSOLSGNFJ-UHFFFAOYSA-N 315.86000 315.08485 [H]C(CCN(C)C)=C1c2ccccc2Sc2ccc(Cl)cc12 Beilstein:89898 CAS:113-59-7 DrugBank:DB01239 KEGG:C07953 KEGG:D00790 LINCS:LSM-3310 Patent:GB829763 Patent:US3046283 3-(2-chloro-9H-thioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine Chlorprothixene chebi_ontology Alpha-Chlorprothixene Chlorprothixen Chlorprothixine Chlorprotixen Chlorprotixene Chlorprotixine Chlothixen chlorprothixene chlorprothixenum clorprotixeno CHEBI:3651 chlorprothixene Any compound containing the carbonyl group, C=O. The term is commonly used in the restricted sense of aldehydes and ketones, although it actually includes carboxylic acids and derivatives. carbonyl compounds chebi_ontology CHEBI:36586 carbonyl compound Organic compounds containing an oxygen atom, =O, doubly bonded to carbon or another element. oxo compounds chebi_ontology organic oxo compounds CHEBI:36587 organic oxo compound A 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile that has S-configuration at the chiral centre. It is the active enantiomer of citalopram. 0 C20H21FN2O InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3/t20-/m0/s1 WSEQXVZVJXJVFP-FQEVSTJZSA-N 324.39202 324.16379 CN(C)CCC[C@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 Beilstein:9001444 CAS:128196-01-0 DrugBank:DB01175 Drug_Central:1053 HMDB:HMDB0005028 KEGG:D07913 LINCS:LSM-3569 PMID:14501259 PMID:14594439 PMID:14708881 PMID:15200745 PMID:15609164 PMID:16266205 PMID:16421462 PMID:16937393 PMID:16953656 PMID:18789789 PMID:19710642 PMID:20825390 PMID:24172161 PMID:24176515 PMID:24289655 PMID:24424469 PMID:24469525 PMID:24528284 Wikipedia:Escitalopram (1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile chebi_ontology (+)-citalopram (S)-citalopram Esertia S(+)-citalopram S-(+)-citalopram escitalopram escitalopramum CHEBI:36791 escitalopram 0 C18H19NOS InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3 ZEUITGRIYCTCEM-UHFFFAOYSA-N 297.41560 297.11874 CNCCC(Oc1cccc2ccccc12)c1cccs1 Beilstein:8842375 CAS:116539-58-3 PMID:20825390 N-methyl-3-(naphthalen-1-yloxy)-3-(2-thienyl)propan-1-amine chebi_ontology N-methyl-3-(1-naphthyloxy)-3-(2-thienyl)propan-1-amine CHEBI:36796 duloxetine Two or more cyclic systems (single rings or fused systems) which are directly joined to each other by double or single bonds are named ring assemblies when the number of such direct ring junctions is one less than the number of cyclic systems involved. ring assemblies ring assembly chebi_ontology CHEBI:36820 ring assembly An organochalcogen compound is a compound containing at least one carbon-chalcogen bond. organochalcogen compound chebi_ontology organochalcogen compounds CHEBI:36962 organochalcogen compound An organochalcogen compound containing at least one carbon-oxygen bond. PMID:17586126 organooxygen compound chebi_ontology organooxygen compounds CHEBI:36963 organooxygen compound A nucleotide is a nucleoside phosphate resulting from the condensation of the 3 or 5 hydroxy group of a nucleoside with phosphoric acid. CHEBI:13215 CHEBI:13663 CHEBI:7656 KEGG:C00215 Wikipedia:Nucleotide Nucleotide chebi_ontology nucleotides CHEBI:36976 nucleotide A pyridazinodiazepine resulting from the formal condensation of the carboxy group of cilazaprilat with ethanol. It is a drug used in the treatment of hypertension and heart failure. 0 C22H31N3O5 InChI=1S/C22H31N3O5/c1-2-30-22(29)18(13-12-16-8-4-3-5-9-16)23-17-10-6-14-24-15-7-11-19(21(27)28)25(24)20(17)26/h3-5,8-9,17-19,23H,2,6-7,10-15H2,1H3,(H,27,28)/t17-,18-,19-/m0/s1 HHHKFGXWKKUNCY-FHWLQOOXSA-N 417.506 417.22637 C1CC[C@@H](C(N2N1CCC[C@H]2C(=O)O)=O)N[C@H](C(OCC)=O)CCC3=CC=CC=C3 CAS:88768-40-5 DrugBank:DB01340 Drug_Central:641 HMDB:HMDB0015433 KEGG:D07699 PMID:18297254 PMID:1836986 PMID:21760854 PMID:24383331 PMID:24754013 PMID:25272892 PMID:28334985 PMID:28445944 PMID:31531043 Wikipedia:Cilazapril (1S,9S)-9-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}-10-oxooctahydro-6H-pyridazino[1,2-a][1,2]diazepine-1-carboxylic acid chebi_ontology Cilazapril anhydrous Dynorm Inhibace Ro 34-2848 Vascace Vascase cilazapril cilazaprilum CHEBI:3698 cilazapril chebi_ontology nucleoside bisphosphates CHEBI:37123 nucleoside bisphosphate An organofluorine compound is a compound containing at least one carbon-fluorine bond. 0 FR 18.998 18.99840 *F MetaCyc:Fluorides organofluorine compound chebi_ontology fluoroorganic compound fluoroorganic compounds fluoroorganics fluororganische Verbindungen organofluorine compounds CHEBI:37143 organofluorine compound chebi_ontology organic hydrides CHEBI:37175 organic hydride A racemate comprising equimolar amounts of (R)-citalopram and its enantiomer, escitalopram. It is used as an antidepressant, although only escitalopram is active. 0 C20H21FN2O 324.393 324.16379 Beilstein:1397373 CAS:59729-33-8 DrugBank:DB00215 HMDB:HMDB0005038 KEGG:C07572 KEGG:D07704 PMID:11336616 PMID:18213744 PMID:18219053 PMID:19747949 PMID:20825390 Patent:DE2657013 Patent:EP0171943 Patent:EP1506963 Patent:US4136193 Reaxys:1397373 Wikipedia:Citalopram Citalopram rac-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile chebi_ontology 1,3-dihydro-1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-5-isobenzofurancarbonitrile 1-(3-(dimethylamino)propyl)-1-(p-fluorophenyl)-5-phthalancarbonitrile Cipram Citadur Lu 10-171 Nitalapram citalopram citalopramum CHEBI:3723 citalopram chebi_ontology adenosine 3',5'-bisphosphates CHEBI:37240 adenosine 3',5'-bisphosphate An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of any fatty 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:24025 CHEBI:4987 PMID:11524729 PMID:20442897 PMID:2079609 chebi_ontology Fatty acyl CoA fatty acyl-coenzyme A fatty acyl-coenzyme As CHEBI:37554 fatty acyl-CoA An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with one of the carboxy groups of any alpha,omega-dicarboxylic acid. CHEBI:10614 CHEBI:13782 CHEBI:25688 KEGG:C03188 omega-Carboxyacyl-CoA omega-carboxyacyl-CoA chebi_ontology CHEBI:37555 omega-carboxyacyl-CoA 1,3-Dihydro-2H-1,4-benzodiazepin-2-one in which the hydrogens at positions 5 and 7 are substituted by 2-chlorophenyl and nitro groups, respectively. It is used in the treatment of all types of epilepsy and seizures, as well as myoclonus and associated abnormal movements, and panic disorders. However, its use can be limited by the development of tolerance and by sedation. 0 C15H10ClN3O3 InChI=1S/C15H10ClN3O3/c16-12-4-2-1-3-10(12)15-11-7-9(19(21)22)5-6-13(11)18-14(20)8-17-15/h1-7H,8H2,(H,18,20) DGBIGWXXNGSACT-UHFFFAOYSA-N 315.71100 315.04107 [O-][N+](=O)c1ccc2NC(=O)CN=C(c3ccccc3Cl)c2c1 CHEBI:102465 Beilstein:759557 CAS:1622-61-3 DrugBank:DB01068 Drug_Central:703 KEGG:D00280 PMID:10633040 PMID:12213069 PMID:12873507 Patent:US3116203 Patent:US3121076 Patent:US3335181 Wikipedia:Clonazepam 5-(2-chlorophenyl)-7-nitro-1,3-dihydro-2H-1,4-benzodiazepin-2-one CLONAZEPAM chebi_ontology 1,3-dihydro-7-nitro-5-(2-chlorophenyl)-2H-1,4.benzodiazepin-2-one 5-(2-Chloro-phenyl)-7-nitro-1,3-dihydro-benzo[e][1,4]diazepin-2-one 5-(2-chlorophenyl)-7-nitro-1H-benzo[e][1,4]diazepin-2(3H)-one 5-(o-chlorophenyl)-7-nitro-1,3-dihydro-2H-1,4-benzodiazepin-2-one clonazepam clonazepamum CHEBI:3756 clonazepam A molecular entity consisting of two or more chemical elements. chebi_ontology chemical compound heteroatomic molecular entities CHEBI:37577 heteroatomic molecular entity Any heteroatomic molecular entity that is a chemical compound of halogen with other chemical elements. Wikipedia:Halide chebi_ontology halides CHEBI:37578 halide A lactone having a five-membered lactone ring. 0 C4H3O2R3 83.066 83.01330 O1C(C(C(C1=O)*)*)* CHEBI:13194 CHEBI:18937 CHEBI:22971 CHEBI:541 PMID:18789684 chebi_ontology 1,4-Lactone 1,4-lactones a 1,4-lactone butyrolactones gamma-Laktone gamma-lactona gamma-lactonas gamma-lactones CHEBI:37581 gamma-lactone An amide of a carboxylic acid, having the structure RC(=O)NR2. The term is used as a suffix in systematic name formation to denote the -C(=O)NH2 group including its carbon atom. 0 CNOR3 42.01680 41.99799 [*]C(=O)N([*])[*] CHEBI:35354 CHEBI:35355 carboxamides chebi_ontology carboxamides primary carboxamide CHEBI:37622 carboxamide A benzodiazepine that is 5H-dibenzo[b,e][1,4]diazepine substituted by a chloro group at position 8 and a 4-methylpiperazin-1-yl group at position 11. It is a second generation antipsychotic used in the treatment of psychiatric disorders like schizophrenia. 0 C18H19ClN4 InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3 QZUDBNBUXVUHMW-UHFFFAOYSA-N 326.824 326.12982 N1=C(C2=CC=CC=C2NC3=CC=C(C=C13)Cl)N4CCN(CC4)C Beilstein:0764984 CAS:5786-21-0 DrugBank:DB00363 Drug_Central:722 HMDB:HMDB0014507 KEGG:C06924 KEGG:D00283 PMID:18690109 PMID:18766167 PMID:20825390 PMID:24219174 Patent:FR1334944 Patent:NL293201 Patent:US3539573 Reaxys:764984 Wikipedia:Clozapine 8-chloro-11-(4-methylpiperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine Clozapine chebi_ontology Clozapin clozapina clozapine clozapinum CHEBI:3766 clozapine CHEBI:26019 chebi_ontology CHEBI:37734 phosphoric ester Any glycerolipid having a phosphate group ester-linked to a terminal carbon of the glycerol backbone. CHEBI:24362 CHEBI:5456 PMID:17393491 chebi_ontology glycerophospholipids phosphatide phosphatides phosphoglyceride phosphoglycerides CHEBI:37739 glycerophospholipid chebi_ontology CHEBI:38093 phenothiazines Any organonitrogen compound containing a cyclic component with nitrogen and at least one other element as ring member atoms. chebi_ontology heterocyclic organonitrogen compounds organonitrogen heterocyclic compounds CHEBI:38101 organonitrogen heterocyclic compound Any organic heterocyclic compound containing at least one ring oxygen atom. PMID:17134300 chebi_ontology heterocyclic organooxygen compounds organooxygen heterocyclic compounds oxacycles CHEBI:38104 oxacycle CHEBI:25429 CHEBI:38075 chebi_ontology organic heteropolycyclic compounds CHEBI:38166 organic heteropolycyclic compound An EC 3.1.1.* (carboxylic ester hydrolase) inhibitor that interferes with the action of enzyme acetylcholinesterase (EC 3.1.1.7), which helps breaking down of acetylcholine into choline and acetic acid. Wikipedia:Acetylcholinesterase_inhibitor chebi_ontology AChEI AcCholE inhibitor AcCholE inhibitors EC 3.1.1.7 (acetylcholinesterase) inhibitors EC 3.1.1.7 inhibitor EC 3.1.1.7 inhibitors acetyl.beta-methylcholinesterase inhibitor acetyl.beta-methylcholinesterase inhibitors acetylcholine acetylhydrolase inhibitor acetylcholine acetylhydrolase inhibitors acetylcholine esterase inhibitor acetylcholine hydrolase inhibitor acetylcholine hydrolase inhibitors acetylcholinesterase (EC 3.1.1.7) inhibitor acetylcholinesterase (EC 3.1.1.7) inhibitors acetylcholinesterase inhibitor acetylcholinesterase inhibitors acetylthiocholinesterase inhibitor acetylthiocholinesterase inhibitors choline esterase I inhibitor choline esterase I inhibitors cholinesterase inhibitor cholinesterase inhibitors true cholinesterase inhibitor true cholinesterase inhibitors CHEBI:38462 EC 3.1.1.7 (acetylcholinesterase) inhibitor A dihydroxy monocarboxylic acid that is (6E)-7-{4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-(propan-2-yl)pyrimidin-5-yl} hept-6-enoic acid carrying two hydroxy substituents at positions 3 and 5 (the 3R,5S-diastereomer). 0 C22H28FN3O6S InChI=1S/C22H28FN3O6S/c1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32/h5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30)/b10-9+/t16-,17-/m1/s1 BPRHUIZQVSMCRT-VEUZHWNKSA-N 481.53800 481.16828 CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)N(C)S(C)(=O)=O Beilstein:9670765 CAS:287714-41-4 DrugBank:DB01098 Drug_Central:2406 HMDB:HMDB0015230 KEGG:D08492 PMID:17970755 PMID:18509206 PMID:19724024 PMID:19956889 PMID:23806820 PMID:23881596 PMID:23944632 PMID:24072337 PMID:24076283 PMID:24076297 PMID:24156555 PMID:24163149 PMID:24230979 PMID:24253250 PMID:24259612 PMID:24304551 PMID:24333476 PMID:24353409 PMID:24410968 PMID:24417785 PMID:24434545 PMID:24440231 PMID:24440960 PMID:24444439 PMID:24452083 PMID:24456217 PMID:24467235 Patent:US2013035316 Reaxys:9670765 Wikipedia:Rosuvastatin (3R,5S,6E)-7-{4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-(propan-2-yl)pyrimidin-5-yl}-3,5-dihydroxyhept-6-enoic acid chebi_ontology (3R,5S,6E)-7-(4-(4-fluorophenyl)-6-(1-methylethyl)-2-(ethyl(methylsulfonyl)amino)-5-pyrimidinyl)-3,5-dihydroxy-6-heptenoic acid (3R,5S,6E)-7-{4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl}-3,5-dihydroxyhept-6-enoic acid rosuvastatin CHEBI:38545 rosuvastatin A racemate comprising equimolar amounts of (3R,5S)- and (3S,5R)-fluvastatin. An HMG-CoA reductase inhibitor, it is used (often as the corresponding sodium salt) to reduce triglycerides and LDL-cholesterol, and increase HDL-chloesterol, in the treatment of hyperlipidaemia. 0 C24H26FNO4 InChI=1S/C24H26FNO4/c1-15(2)26-21-6-4-3-5-20(21)24(16-7-9-17(25)10-8-16)22(26)12-11-18(27)13-19(28)14-23(29)30/h3-12,15,18-19,27-28H,13-14H2,1-2H3,(H,29,30)/b12-11+/t18-,19-/m0/s1 FJLGEFLZQAZZCD-JUFISIKESA-N 411.467 411.18459 C1(=CC=C(C=C1)C=2C=3C(N(C2/C=C/[C@@H](C[C@@H](CC(O)=O)O)O)C(C)C)=CC=CC3)F Beilstein:9168031 CAS:93957-54-1 DrugBank:DB01095 KEGG:C07014 KEGG:D07983 PMID:11273020 PMID:12147804 PMID:18410471 PMID:18413661 PMID:18452779 PMID:18936176 PMID:23212095 PMID:23846727 Patent:US4739073 Patent:WO8402131 Wikipedia:Fluvastatin rac-(3R,5S,6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid chebi_ontology (+-)-fluvastatin (6E)-erythro7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid Cranoc erythro-(E)-3,5-dihydroxy-7-[3'-(4''-fluorophenyl)-1'-(1''-methylethyl)indol-2'-yl]hept-6-enoic acid fluvastatin fluvastatina fluvastatine fluvastatinum rac-(3R,5S)-fluvastatin rac-(3R,5S,6E)-7-(3-(4-fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl)-3,5-dihydroxy-6-heptenoic acid CHEBI:38561 fluvastatin 0 C15H13FO2 InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)/t10-/m1/s1 SYTBZMRGLBWNTM-SNVBAGLBSA-N 244.26092 244.08996 C[C@@H](C(O)=O)c1ccc(c(F)c1)-c1ccccc1 Beilstein:4686157 Beilstein:5745751 CAS:51543-40-9 (2R)-2-(2-fluoro-[1,1'-biphenyl-4-yl])propanoic acid chebi_ontology (-)-(2R)-2-(2-fluorobiphenyl-4-yl)propanoic acid (2R)-2-(2-fluorobiphenyl-4-yl)propanoic acid (R)-2-fluoro-alpha-methyl(1,1'-biphenyl)-4-acetic acid Flurizan Tarenflurbil CHEBI:38666 (R)-flurbiprofen Any member of the class of biphenyls that is a mono or poly-substituted biphenyl having fluro group as one of the substituents. chebi_ontology fluorobiphenyls CHEBI:38679 fluorobiphenyl Any flavonoid that is a glycoside derivative of anthocyanidin. Anthocyanins are water-souluble plant pigments that generally occur as acidic salts exhibiting bright colours. chebi_ontology anthocyanins CHEBI:38697 anthocyanin A class of lipoproteins of small size (18-25 nm) and low density (1.019-1.063 g/ml) particles with a core composed mainly of cholesterol esters and smaller amounts of triglycerides. The surface monolayer consists mostly of phospholipids, a single copy of apolipoprotein B-100, and free cholesterol molecules. The main function of LDL is to transport cholesterol and cholesterol esters from the liver. Excessive levels are associated with cardiovascular disease. PMID:11082530 PMID:15583011 PMID:15913955 PMID:19349632 PMID:28401639 PMID:28432662 PMID:28792690 PMID:28827781 PMID:28847800 PMID:28859941 PMID:28870972 Wikipedia:Low-density_lipoprotein chebi_ontology LDL beta-lipoproteins low-density lipoproteins CHEBI:39026 low-density lipoprotein A dihydroxy monocarboxylic acid that is a member of the drug class known as statins, used primarily for lowering blood cholesterol and for preventing cardiovascular diseases. 0 C33H35FN2O5 InChI=1S/C33H35FN2O5/c1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40)/t26-,27-/m1/s1 XUKUURHRXDUEBC-KAYWLYCHSA-N 558.63988 558.25300 CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(O)=O CHEBI:2910 CHEBI:39538 Beilstein:8373630 CAS:134523-00-5 DrugBank:DB01076 Drug_Central:257 HMDB:HMDB0005006 KEGG:C06834 KEGG:D07474 LINCS:LSM-5771 PDBeChem:117 PMID:11693468 PMID:15012735 PMID:18720283 Patent:EP409281 Patent:US5273995 Reaxys:8373630 Wikipedia:Atorvastatin (3R,5R)-7-[3-(anilinocarbonyl)-5-(4-fluorophenyl)-4-phenyl-2-(propan-2-yl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid Atorvastatin chebi_ontology (R-(R*,R*))-2-(4-Fluorophenyl)-beta,delta-dihydroxy-5-(1-methylethyl)-3-phenyl-4-((phenylamino)carbonyl)-1H-pyrrole-1-heptanoic acid 7-[2-(4-FLUORO-PHENYL)-5-ISOPROPYL-3-PHENYL-4-PHENYLCARBAMOYL-PYRROL-1-YL]-3,5-DIHYDROXY-HEPTANOIC ACID Atorlip atorvastatin atorvastatina atorvastatine atorvastatinum CHEBI:39548 atorvastatin A beta-diketone that is methane in which two of the hydrogens are substituted by feruloyl groups. A natural dyestuff found in the root of Curcuma longa. 0 C21H20O6 InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+ VFLDPWHFBUODDF-FCXRPNKRSA-N 368.381 368.12599 C1(=CC(=C(O)C=C1)OC)/C=C/C(CC(/C=C/C2=CC(=C(O)C=C2)OC)=O)=O CAS:458-37-7 HMDB:HMDB0002269 KEGG:C10443 KNApSAcK:C00002731 MetaCyc:CPD-6602 PMID:10923784 PMID:12083767 PMID:12826232 PMID:14561543 PMID:14634121 PMID:15129424 PMID:15659840 PMID:15753945 PMID:15809436 PMID:15842781 PMID:15879598 PMID:16276182 PMID:16292655 PMID:16972983 PMID:17182546 PMID:18815282 PMID:19038979 PMID:19204190 PMID:19234767 PMID:20057137 PMID:21466422 PMID:21642934 PMID:22044005 PMID:22051121 PMID:22118895 PMID:22122768 PMID:22211691 PMID:22318308 PMID:22753715 PMID:23386263 PMID:23574161 PMID:9698073 Patent:DE859145 Patent:KR20130050834 Reaxys:2306965 Wikipedia:Curcumin (1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione Curcumin curcumin chebi_ontology C.I. 75300 C.I. Natural Yellow 3 Diferuloylmethane E 100 Kacha haldi Natural yellow 3 Turmeric yellow CHEBI:3962 curcumin A fatty acid ester that is mevastatin carrying an additional methyl group on the carbobicyclic skeleton. It is used in as an anticholesteremic drug and has been found in fungal species such as Aspergillus terreus and Pleurotus ostreatus (oyster mushroom). 0 C24H36O5 InChI=1S/C24H36O5/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-22(26)28-19/h6-7,10,14-16,18-21,23,25H,5,8-9,11-13H2,1-4H3/t14-,15-,16-,18+,19+,20-,21-,23-/m0/s1 PCZOHLXUXFIOCF-BXMDZJJMSA-N 404.53964 404.25627 [H][C@]12[C@H](C[C@@H](C)C=C1C=C[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1)OC(=O)[C@@H](C)CC CHEBI:40299 CHEBI:6544 Beilstein:3631989 CAS:75330-75-5 DrugBank:DB00227 Drug_Central:1612 HMDB:HMDB0014372 KEGG:C07074 KEGG:D00359 KNApSAcK:C00000547 LINCS:LSM-2189 PDBeChem:803 PMID:11375168 PMID:11389707 PMID:11483865 PMID:18642339 PMID:24093797 PMID:7720768 Patent:CN103172602 Patent:WO2013090461 Reaxys:4720754 Wikipedia:Lovastatin (1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl (2S)-2-methylbutanoate LOVASTATIN Lovastatin lovastatin chebi_ontology (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-(2-(2R,4R)-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl (S)-2-methyl-butyrate 2beta,6alpha-dimethyl-8alpha-(2-methyl-1-oxobutoxy)-mevinic acid lactone 6alpha-methylcompactin MK-803 ML-530B Mevacor Mevinolin CHEBI:40303 lovastatin A member of the class of pyrazoles that is 1H-pyrazole which is substituted at positions 1, 3 and 5 by 4-sulfamoylphenyl, trifluoromethyl and p-tolyl groups, respectively. A cyclooxygenase-2 inhibitor, it is used in the treatment of arthritis. 0 C17H14F3N3O2S InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25) RZEKVGVHFLEQIL-UHFFFAOYSA-N 381.37200 381.07588 Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F CHEBI:3520 CHEBI:41418 CAS:169590-42-5 CAS:184007-95-2 DrugBank:DB00482 Drug_Central:568 HMDB:HMDB0005014 KEGG:C07589 KEGG:D00567 LINCS:LSM-2032 PDBeChem:CEL PMID:17983259 PMID:18405470 PMID:19137124 PMID:19203891 PMID:21955617 PMID:22141388 PMID:22419293 PMID:22971036 PMID:23296687 PMID:23506230 PMID:28166217 Reaxys:8280770 Wikipedia:Celecoxib 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide Celecoxib chebi_ontology Celebrex celecoxib celecoxibum p-(5-p-Tolyl-3-(trifluoromethyl)pyrazol-1-yl)benzenesulfonamide CHEBI:41423 celecoxib A benzazepine alkaloid isolated from certain species of daffodils. 0 C17H21NO3 InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1 ASUTZQLVASHGKV-JDFRZJQESA-N 287.35358 287.15214 [H][C@]12C[C@@H](O)C=C[C@]11CCN(C)Cc3ccc(OC)c(O2)c13 CHEBI:42935 CHEBI:5264 Beilstein:93736 CAS:357-70-0 DrugBank:DB00674 Drug_Central:1272 KEGG:C08526 KEGG:D04292 KNApSAcK:C00001570 LINCS:LSM-5604 PDBeChem:GNT PMID:11060814 PMID:11950787 PMID:12177686 PMID:14674789 PMID:15495017 PMID:15537482 PMID:16437436 PMID:19253410 PMID:19782102 PMID:5333582 Reaxys:93736 Wikipedia:Galantamine Galanthamine galanthamine chebi_ontology (-)-GALANTHAMINE Galantamine CHEBI:42944 galanthamine A sulfone that is diphenylsulfone in which the hydrogen atom at the 4 position of each of the phenyl groups is substituted by an amino group. It is active against a wide range of bacteria, but is mainly employed for its actions against Mycobacterium leprae, being used as part of multidrug regimens in the treatment of all forms of leprosy. 0 C12H12N2O2S InChI=1S/C12H12N2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H,13-14H2 MQJKPEGWNLWLTK-UHFFFAOYSA-N 248.30100 248.06195 Nc1ccc(cc1)S(=O)(=O)c1ccc(N)cc1 CHEBI:226356 Beilstein:788055 CAS:80-08-0 DrugBank:DB00250 Drug_Central:782 HMDB:HMDB0014395 KEGG:C07666 KEGG:D00592 LINCS:LSM-5714 PMID:16361748 PMID:18035772 PMID:24232126 PMID:24512442 PMID:28434260 PMID:28699887 PMID:28732451 PMID:29045131 PMID:29192974 PMID:29192999 PMID:29233746 PMID:29280553 Patent:FR829926 Reaxys:788055 Wikipedia:Dapsone 4,4'-sulfonyldianiline DAPSONE Dapsone chebi_ontology 1,1'-sulfonylbis(4-aminobenzene) 4,4'-Sulfonylbisbenzenamine 4,4'-dapsone 4,4'-diaminodiphenyl sulfone 4,4'-sulfonylbisaniline 4-(4-amino-benzenesulfonyl)-phenylamine 4-(4-aminophenylsulfonyl)aniline 4-(4-aminophenylsulfonyl)benzenamine 4-aminophenyl sulfone Bis(p-aminophenyl) sulfone DADPS DDS DIAPHENYLSULFONE Diaphenylsulfone bis(4-aminophenyl)sulfone dapsona dapsone dapsonum p,p'-diaminodiphenyl sulfone p,p-sulphonylbisbenzamine p,p-sulphonylbisbenzenamine p-aminophenyl sulfone CHEBI:4325 dapsone 0 C19H20O5 InChI=1S/C19H20O5/c1-11(2)7-18(21)23-16-9-13-8-12-5-6-17(20)22-14(12)10-15(13)24-19(16,3)4/h5-8,10,16H,9H2,1-4H3/t16-/m0/s1 CUKSFECWKQBVED-INIZCTEOSA-N 328.360 328.13107 CC(C)=CC(=O)O[C@H]1Cc2cc3ccc(=O)oc3cc2OC1(C)C CAS:5928-25-6 KEGG:C09258 KNApSAcK:C00002465 Decursin chebi_ontology CHEBI:4353 Decursin 0 C21H31N3O5 InChI=1S/C21H31N3O5/c22-13-5-4-9-16(19(25)24-14-6-10-18(24)21(28)29)23-17(20(26)27)12-11-15-7-2-1-3-8-15/h1-3,7-8,16-18,23H,4-6,9-14,22H2,(H,26,27)(H,28,29)/t16-,17-,18-/m0/s1 RLAWWYSOJDYHDC-BZSNNMDCSA-N 405.48790 405.22637 NCCCC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O CHEBI:43750 Beilstein:4276619 CAS:76547-98-3 DrugBank:DB00722 Drug_Central:1587 LINCS:LSM-5756 PDBeChem:LPR Wikipedia:Lisinopril N(2)-[(1S)-1-carboxy-3-phenylpropyl]-L-lysyl-L-proline chebi_ontology (S)-1-(N(2)-(1-carboxy-3-phenylpropyl)-L-lysyl)-L-proline [N2-[(S)-1-CARBOXY-3-PHENYLPROPYL]-L-LYSYL-L-PROLINE lisinopril anhydrous CHEBI:43755 lisinopril A member of the class of phenothiazines that is phenothiazine having a trifluoromethyl subsitituent at the 2-position and a 3-(4-methylpiperazin-1-yl)propyl group at the N-10 position. 0 C21H24F3N3S InChI=1S/C21H24F3N3S/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24/h2-3,5-8,15H,4,9-14H2,1H3 ZEWQUBUPAILYHI-UHFFFAOYSA-N 407.49669 407.16430 CN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1 CHEBI:45949 CHEBI:9709 Beilstein:57272 CAS:117-89-5 DrugBank:DB00831 Drug_Central:2740 Gmelin:2415561 HMDB:HMDB0014969 KEGG:C07168 KEGG:D08636 LINCS:LSM-4010 PDBeChem:TFP PMID:11121417 PMID:14974020 PMID:15722405 PMID:1650428 PMID:19277699 PMID:19747949 PMID:20544963 PMID:7404501 PMID:9730919 Reaxys:57272 Wikipedia:Trifluoperazine 10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)-10H-phenothiazine Trifluoperazine chebi_ontology 10-[3-(4-METHYL-PIPERAZIN-1-YL)-PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE 10-[3-(4-methyl-1-piperazinyl)propyl]-2-(trifluoromethyl)-10H-phenothiazine trifluoperazina trifluoperazine trifluoperazinum trifluoromethyl-10-(3'-(1-methyl-4-piperazinyl)propyl)phenothiazine trifluoroperazine trifluperazine CHEBI:45951 trifluoperazine A member of the class of acridines that is 1,2,3,4-tetrahydroacridine substituted by an amino group at position 9. It is used in the treatment of Alzheimer's disease. 0 C13H14N2 InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15) YLJREFDVOIBQDA-UHFFFAOYSA-N 198.26374 198.11570 Nc1c2CCCCc2nc2ccccc12 CHEBI:45978 CHEBI:9389 Beilstein:147610 CAS:321-64-2 DrugBank:DB00382 Drug_Central:2551 KEGG:C01453 KEGG:D08555 LINCS:LSM-5871 PDBeChem:THA PMID:10817586 PMID:24560791 PMID:7866482 Reaxys:147610 Wikipedia:Tacrine 1,2,3,4-tetrahydroacridin-9-amine TACRINE Tacrine chebi_ontology 1,2,3,4-tetrahydro-9-acridinamine 1,2,3,4-tetrahydro-9-aminoacridine 5-amino-6,7,8,9-tetrahydroacridine 9-amino-1,2,3,4-tetrahydroacridine tetrahydroaminacrine CHEBI:45980 tacrine A dibenzooxepine that is 6,11-dihydrodibenzo[b,e]oxepine substituted by a 3-(dimethylamino)propylidene group at position 11. It is used as an antidepressant drug. 0 C19H21NO InChI=1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3 ODQWQRRAPPTVAG-UHFFFAOYSA-N 279.37618 279.16231 [H]C(CCN(C)C)=C1c2ccccc2COc2ccccc12 Beilstein:1348849 CAS:1668-19-5 DrugBank:DB01142 Drug_Central:956 HMDB:HMDB0015273 KEGG:C06971 KEGG:D07875 LINCS:LSM-2803 PMID:15014590 PMID:19357442 Reaxys:1348849 Wikipedia:Doxepin 3-dibenzo[b,e]oxepin-11(6H)-ylidene-N,N-dimethylpropan-1-amine Doxepin chebi_ontology 3-dibenz[b,e]oxepin-11(6H)-ylidene-N,N-dimethyl-1-propanamine CHEBI:4710 doxepin An organofluorine compound that is haloperidol in which the hydroxy group has been eliminated with the introduction of a double bond in the piperidine ring, and the 4-chlorophenyl group has been replaced by a benzimidazol-2-on-1-yl group. It is used in the management of chemotherapy-induced nausea and vomiting, and in conjunction with an opioid analgesic such as fentanyl to maintain the patient in a calm state of neuroleptanalgesia with indifference to surroundings but still able to cooperate with the surgeon. 0 C22H22FN3O2 InChI=1S/C22H22FN3O2/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-11H,3,6,12-15H2,(H,24,28) RMEDXOLNCUSCGS-UHFFFAOYSA-N 379.42740 379.16961 Fc1ccc(cc1)C(=O)CCCN1CCC(=CC1)n1c2ccccc2[nH]c1=O CHEBI:252751 Beilstein:579168 CAS:548-73-2 DrugBank:DB00450 Drug_Central:966 KEGG:D00308 LINCS:LSM-4193 Patent:US3161645 Wikipedia:Droperidol 1-{1-[4-(4-fluorophenyl)-4-oxobutyl]-1,2,3,6-tetrahydropyridin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one chebi_ontology 1-(1-(3-(p-fluorobenzoyl)propyl)-1,2,3,6-tetrahydro-4-pyridyl)-2-benzimidazolinone 1-(1-(4-(p-fluorophenyl)-4-oxobutyl)-1,2,3,6-tetrahydro-4-pyridyl)-2-benzimidazolinone 1-{1-[4-(4-Fluoro-phenyl)-4-oxo-butyl]-1,2,3,6-tetrahydro-pyridin-4-yl}-1,3-dihydro-benzoimidazol-2-one 1-{1-[4-(4-fluorophenyl)-4-oxobutyl]-1,2,3,6-tetrahydro-4-pyridinyl}-2,3-dihydro-1H-benzo[d]imidazol-2-one droperidol droperidolum CHEBI:4717 droperidol A monocarboxylic acid consisting of phenylacetic acid having a (2,6-dichlorophenyl)amino group at the 2-position. 0 C14H11Cl2NO2 InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19) DCOPUUMXTXDBNB-UHFFFAOYSA-N 296.150 295.01668 C1(Cl)=CC=CC(=C1NC2=CC=CC=C2CC(=O)O)Cl CHEBI:4507 CHEBI:47380 Beilstein:2146636 CAS:15307-86-5 DrugBank:DB00586 Drug_Central:865 HMDB:HMDB0014724 KEGG:C01690 KEGG:D07816 LINCS:LSM-2160 PDBeChem:DIF PMID:11322639 PMID:1502708 PMID:23777257 PMID:27967303 PMID:7838674 Patent:NL6604752 Patent:US3558690 Reaxys:2146636 VSDB:1933 Wikipedia:Diclofenac 2-[(2,6-dichlorophenyl)amino]benzeneacetic acid Diclofenac {2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid chebi_ontology 2-((2,6-dichlorophenyl)amino)benzeneacetic acid [2-(2,6-dichloroanilino)phenyl]acetic acid diclofenac diclofenac acid diclofenaco diclofenacum diclofenamic acid CHEBI:47381 diclofenac A dibenzoazepine that is 5H-dibenzo[b,f]azepine substituted by a 3-(dimethylamino)propyl group at the nitrogen atom. 0 C19H24N2 InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3 BCGWQEUPMDMJNV-UHFFFAOYSA-N 280.40734 280.19395 CN(C)CCCN1c2ccccc2CCc2ccccc12 CHEBI:47498 CHEBI:5881 Beilstein:256892 CAS:50-49-7 DrugBank:DB00458 Drug_Central:1427 Gmelin:1572523 HMDB:HMDB0001848 KEGG:C07049 KEGG:D08070 LINCS:LSM-2852 PDBeChem:IXX PMID:20825390 Patent:US2554736 Reaxys:256892 Wikipedia:Imipramine 3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N-dimethylpropan-1-amine Imipramine chebi_ontology 10,11-dihydro-N,N-dimethyl-5H-dibenz[b,f]azepine-5-propanamine 3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE 5-[3-(dimethylamino)propyl]-10,11-dihydro-5H-dibenz[b,f]azepine Antideprin Imipramin Irmin Melipramine N-(gamma-dimethylaminopropyl)iminodibenzyl imipramine imipraminum imizine CHEBI:47499 imipramine A dibenzoazepine that is 10,11-dihydro-5H-dibenzo[b,f]azepine which is substituted by chlorine at position 3 and in which the hydrogen attached to the nitrogen is replaced by a 3-(dimethylamino)propyl group. One of the more sedating tricyclic antidepressants, it is used as the hydrochloride salt for the treatment of depression as well as obsessive-compulsive disorder and phobias. 0 C19H23ClN2 InChI=1S/C19H23ClN2/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3 GDLIGKIOYRNHDA-UHFFFAOYSA-N 314.85210 314.15498 CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc12 CHEBI:3754 CHEBI:47359 Beilstein:1323477 CAS:303-49-1 DrugBank:DB01242 Drug_Central:701 KEGG:C06918 KEGG:D07727 LINCS:LSM-3171 PDBeChem:CXX PMID:12007764 PMID:12084414 PMID:16085036 PMID:17471183 PMID:19747949 PMID:19810911 Patent:CH371799 Patent:US3467650 Reaxys:1323477 Wikipedia:Clomipramine 3-(3-chloro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N-dimethylpropan-1-amine Clomipramine chebi_ontology 3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE 3-(3-chloro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N-dimethyl-1-propanamine 3-chloroimipramine G 34586 chlorimipramine monochlorimipramine CHEBI:47780 clomipramine A dibenzoazepine consisting of 10,11-dihydro-5H-dibenzo[b,f]azepine substituted on nitrogen with a 3-(methylamino)propyl group. 0 C18H22N2 InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3 HCYAFALTSJYZDH-UHFFFAOYSA-N 266.38076 266.17830 CNCCCN1c2ccccc2CCc2ccccc12 CHEBI:4448 CHEBI:47393 Beilstein:1432747 CAS:50-47-5 DrugBank:DB01151 Drug_Central:812 HMDB:HMDB0015282 KEGG:C06943 KEGG:D07791 LINCS:LSM-3351 PDBeChem:DSM PMID:11041270 PMID:11287497 PMID:19328214 PMID:20825390 PMID:24399719 Reaxys:1432747 Wikipedia:Desipramine 3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-methylpropan-1-amine Desipramine chebi_ontology 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N-METHYLPROPAN-1-AMINE 5-(gamma-methylaminopropyl)iminodibenzyl DMI Desipramin N-(3-methylaminopropyl)iminobibenzyl demethylimipramine desipramina desipramine desipraminum desmethylimipramine monodemethylimipramine norimipramine CHEBI:47781 desipramine A dicarboxylic acid monoester that is ethyl 4-phenylbutanoate in which a hydrogen alpha to the carboxy group is substituted by the amino group of L-alanyl-L-proline (S-configuration). 0 C20H28N2O5 InChI=1S/C20H28N2O5/c1-3-27-20(26)16(12-11-15-8-5-4-6-9-15)21-14(2)18(23)22-13-7-10-17(22)19(24)25/h4-6,8-9,14,16-17,21H,3,7,10-13H2,1-2H3,(H,24,25)/t14-,16-,17-/m0/s1 GBXSMTUPTTWBMN-XIRDDKMYSA-N 376.44670 376.19982 CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(O)=O CHEBI:116847 Beilstein:3657467 CAS:75847-73-3 DrugBank:DB00584 Drug_Central:1005 HMDB:HMDB0014722 KEGG:C06977 KEGG:D07892 LINCS:LSM-3282 MetaCyc:CPD0-2065 PMID:10669559 PMID:23030053 PMID:23413003 Patent:EP12401 Patent:US4374829 Wikipedia:Enalapril ENALAPRIL Enalapril N-[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]-L-alanyl-L-proline chebi_ontology (S)-1-(N-(1-(ethoxycarbonyl)-3-phenylpropyl)-L-alanyl)-L-proline (S)-1-{(S)-2-[1-((S)-Ethoxycarbonyl)-3-phenyl-propylamino]-propionyl}-pyrrolidine-2-carboxylic acid 1-(N-((S)-1-carboxy-3-phenylpropyl)-L-alanyl)-L-proline 1'-ethyl ester analapril enalapril enalaprila enalaprilum CHEBI:4784 enalapril A member of the class of pyrazolidines that is 1,2-diphenylpyrazolidine-3,5-dione carrying a butyl group at the 4-position. 0 C19H20N2O2 InChI=1S/C19H20N2O2/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3 VYMDGNCVAMGZFE-UHFFFAOYSA-N 308.37430 308.15248 CCCCC1C(=O)N(N(C1=O)c1ccccc1)c1ccccc1 CHEBI:44635 CHEBI:8091 Beilstein:290080 CAS:50-33-9 DrugBank:DB00812 Drug_Central:2145 HMDB:HMDB0014950 KEGG:C07440 KEGG:D00510 LINCS:LSM-2219 PDBeChem:P1Z PMID:11264893 PMID:12692637 PMID:13010905 PMID:13048452 PMID:13747451 PMID:19614844 PMID:20176071 PMID:21668837 PMID:22082440 PMID:22180948 PMID:22245664 PMID:23369749 PMID:23525812 PMID:25287371 PMID:26090772 PMID:26808199 PMID:3425858 PMID:7655439 Reaxys:290080 VSDB:1775 Wikipedia:Phenylbutazone 4-butyl-1,2-diphenylpyrazolidine-3,5-dione Phenylbutazone chebi_ontology 3,5-Dioxo-1,2-diphenyl-4-n-butylpyrazolidine 4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE-3,5-DIONE 4-n-Butyl-1,2-diphenyl-3,5-pyrazolidinedione Phenbutazone Phenylbutazon fenilbutazona phenylbutazone phenylbutazonum CHEBI:48574 phenylbutazone Substance which binds to cell receptors normally responding to naturally occurring substances and which produces a response of its own. agonist chebi_ontology agonista agoniste agonists CHEBI:48705 agonist Substance that attaches to and blocks cell receptors that normally bind naturally occurring substances. antagonist chebi_ontology antagonista antagoniste antagonists CHEBI:48706 antagonist CAS:185243-69-0 DrugBank:DB00005 KEGG:C07897 KEGG:D00742 Patent:US5605690 Patent:WO946476 Etanercept chebi_ontology CHEBI:4875 etanercept A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is substituted by a 1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl moiety. A preferential inhibitor of cyclo-oxygenase 2 and non-steroidal anti-inflammatory, it is used for the treatment of rheumatoid arthritis and osteoarthritis, and for the alleviation of postoperative pain. Administered as the racemate, only the (S)-enantiomer is active. 0 C17H21NO3 InChI=1S/C17H21NO3/c1-3-11-6-5-7-12-13-8-9-21-17(4-2,10-14(19)20)16(13)18-15(11)12/h5-7,18H,3-4,8-10H2,1-2H3,(H,19,20) NNYBQONXHNTVIJ-UHFFFAOYSA-N 287.35350 287.15214 CCc1cccc2c3CCOC(CC)(CC(O)=O)c3[nH]c12 CHEBI:126431 CAS:41340-25-4 DrugBank:DB00749 Drug_Central:1103 HMDB:HMDB0014887 KEGG:D00315 LINCS:LSM-1781 PMID:15369391 PMID:2527995 PMID:28166217 PMID:2970548 Patent:DE2301525 Patent:US3939178 Wikipedia:Etodolac (1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)acetic acid ETODOLAC chebi_ontology (+-)-1,8-diethyl-1,3,4,9-tetrahydropyrano(3,4-b)indole-1-acetic acid (1,8-Diethyl-1,3,4,9-tetrahydro-pyrano[3,4-b]indol-1-yl)-acetic acid 1,3,4,9-tetrahydro-1,8-diethylpyrano(3,4-b)indole-1-acetic acid 1,8-diethyl-1,3,4,9-tetrahydropyrano(3,4-b)indole-1-acetic acid 1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-ylacetic acid ETODOLIC ACID etodolac etodolaco etodolacum CHEBI:4909 etodolac +1 Cu InChI=1S/Cu/q+1 VMQMZMRVKUZKQL-UHFFFAOYSA-N 63.54600 62.92905 [Cu+] CHEBI:23379 CHEBI:49551 CAS:17493-86-6 Gmelin:15189 PDBeChem:CU1 copper(1+) copper(1+) ion copper(I) cation chebi_ontology COPPER (I) ION Cu(+) copper cation copper(1+) ion copper(I) cation cuprous ion CHEBI:49552 copper(1+) A member of the class of indole-3-acetic acids that is indole-3-acetic acid in which the indole ring is substituted at positions 1, 2 and 5 by p-chlorobenzoyl, methyl, and methoxy groups, respectively. A non-steroidal anti-inflammatory drug, it is used in the treatment of musculoskeletal and joint disorders including osteoarthritis, rheumatoid arthritis, gout, bursitis and tendinitis. 0 C19H16ClNO4 InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23) CGIGDMFJXJATDK-UHFFFAOYSA-N 357.78800 357.07679 COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 CHEBI:49660 CHEBI:5918 Beilstein:497341 CAS:53-86-1 DrugBank:DB00328 Drug_Central:1440 Gmelin:1446006 HMDB:HMDB0014473 KEGG:C01926 KEGG:D00141 KNApSAcK:C00030512 LINCS:LSM-3275 MetaCyc:CPD-10545 PDBeChem:IMN PMID:22931205 PMID:23992308 PMID:28166217 PMID:5952296 PMID:6039425 Patent:BE379378 Patent:US3161654 Reaxys:497341 Wikipedia:Indometacin [1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetic acid chebi_ontology 1-(p-chlorobenzoyl)-5-methoxy-2-methylindole-3-acetic acid Aconip Indocin Indomethacin indometacin indometacina indometacine indometacinum {1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl-1H-indol-3-yl}acetic acid CHEBI:49662 indometacin +1 Li InChI=1S/Li/q+1 HBBGRARXTFLTSG-UHFFFAOYSA-N 6.94100 7.01545 [Li+] CHEBI:30143 CHEBI:49711 CAS:17341-24-1 DrugBank:DB01356 Gmelin:15205 PDBeChem:LI lithium(1+) lithium(1+) ion lithium(I) cation chebi_ontology LITHIUM ION Li(+) Lithium, ion (Li1+) lithium cation lithium, ion CHEBI:49713 lithium(1+) A monocarboxylic acid that is propanoic acid in which one of the hydrogens at position 2 is substituted by a 3-phenoxyphenyl group. A non-steroidal anti-inflammatory drug, the dihydrate form of the calcium salt is used for the management of mild to moderate pain and for the relief of pain and inflammation associated with disorders such as arthritis. It is pharmacologically similar to aspirin, but causes less gastrointestinal bleeding. 0 C15H14O3 InChI=1S/C15H14O3/c1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13/h2-11H,1H3,(H,16,17) RDJGLLICXDHJDY-UHFFFAOYSA-N 242.26990 242.09429 CC(C(O)=O)c1cccc(Oc2ccccc2)c1 CHEBI:355534 CAS:31879-05-7 DrugBank:DB00573 Drug_Central:1154 KEGG:C06997 KEGG:D02350 PMID:21328296 PMID:21342694 PMID:25554116 PMID:28166217 PMID:30168706 PMID:4616811 Patent:US3600437 Reaxys:2118687 Wikipedia:_Fenoprofen 2-(3-phenoxyphenyl)propanoic acid FENOPROFEN Fenoprofen chebi_ontology (+-)-2-(3-phenoxyphenyl)propionic acid (+-)-m-phenoxyhydratropic acid 2-(3-phenoxyphenyl)propionic acid 2-(m-phenoxyphenyl)propionic acid alpha-(m-phenoxyphenyl)propionic acid alpha-methyl-3-phenoxybenzeneacetic acid fenoprofen fenoprofene fenoprofeno fenoprofenum CHEBI:5004 fenoprofen A hormone that stimulates or controls the development and maintenance of female sex characteristics in mammals by binding to oestrogen receptors. The oestrogens are named for their importance in the oestrous cycle. The oestrogens that occur naturally in the body, notably estrone, estradiol, estriol, and estetrol are steroids. Other compounds with oestrogenic activity are produced by plants (phytoestrogens) and fungi (mycoestrogens); synthetic compounds with oestrogenic activity are known as xenoestrogens. Wikipedia:Estrogen chebi_ontology Estrogene Oestrogen Oestrogene estrogene estrogenes estrogenes Hormon estrogeno estrogenos estrogens oestrogen oestrogene oestrogenes oestrogens CHEBI:50114 estrogen 0 C18H19N3O3S InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,15H,10-12H2,1H3,(H,20,22,23) YASAKCUCGLMORW-UHFFFAOYSA-N 357.42700 357.11471 CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1 Beilstein:7082202 CAS:122320-73-4 DrugBank:DB00412 Drug_Central:2405 LINCS:LSM-1949 PMID:17259370 PMID:30225267 PMID:31936729 PMID:32234642 PMID:33650786 PMID:33746608 Patent:EP306228 Patent:US5002953 Wikipedia:Rosiglitazone 5-(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}benzyl)-1,3-thiazolidine-2,4-dione chebi_ontology 5-((4-(2-(methyl-2-pyridinylamino)ethoxy)phenyl)methyl)-2,4-thiazolidinedione BRL-49653 rosiglitazona rosiglitazone rosiglitazonum CHEBI:50122 rosiglitazone A 3-hydroxy-5alpha-pregnan-20-one in which the hydroxy group at position 3 has alpha-configuration. It is a metabolite of the sex hormone progesterone and used for the treatment of postpartum depression in women. 0 C21H34O2 InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15+,16-,17+,18-,19-,20-,21+/m0/s1 AURFZBICLPNKBZ-SYBPFIFISA-N 318.49346 318.25588 [H][C@@]12CC[C@@]3([H])[C@]4([H])CC[C@]([H])(C(C)=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@@H](O)C2 CHEBI:32924 CHEBI:34347 Beilstein:3211363 CAS:516-54-1 DrugBank:DB11859 FooDB:FDB022630 HMDB:HMDB0001449 KEGG:C13712 KEGG:D11149 LINCS:LSM-19998 LIPID_MAPS_instance:LMST02030130 PMID:10625505 PMID:11739473 PMID:19290593 PMID:28370307 PMID:28619476 PMID:28666923 PMID:28779545 PMID:29453777 PMID:29636114 PMID:30177236 PMID:30362283 PMID:30481569 PMID:30701996 PMID:9501247 Wikipedia:Allopregnanolone 3alpha-hydroxy-5alpha-pregnan-20-one chebi_ontology (3alpha,5alpha)-3-hydroxypregnan-20-one 3alpha,5alpha-THP 3alpha,5alpha-tetrahydroprogesterone 3alpha-OH DHP 3alpha-hydroxy-5alpha-dihydroprogesterone 3alpha-hydroxy-5alpha-pregnan-20-one 5alpha-pregnan-3alpha-ol-20-one SAGE-547 SGE-102 Zulresso allopregnan-3alpha-ol-20-one allopregnanolone allotetrahydroprogesterone brexanolona brexanolone brexanolonum CHEBI:50169 brexanolone 0 C13H17N InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3 MEZLKOACVSPNER-UHFFFAOYSA-N 187.28082 187.13610 CC(Cc1ccccc1)N(C)CC#C Beilstein:2092580 DrugBank:DB01037 N-methyl-N-(1-methyl-2-phenylethyl)prop-2-yn-1-amine chebi_ontology selegilina selegiline selegilinum CHEBI:50217 selegiline A gamma-lactone that consists of a 2-furanone skeleton and its substituted derivatives. 0 C4H4O2 84.074 84.02113 CHEBI:22960 CHEBI:38121 Wikipedia:Butenolide furan-2-one chebi_ontology 2-furanone butenolides CHEBI:50523 butenolide A biphenyl compound comprising two tyrosine residues linked at carbon-3 of their benzene rings. 0 C18H20N2O6 InChI=1S/C18H20N2O6/c19-13(17(23)24)7-9-1-3-15(21)11(5-9)12-6-10(2-4-16(12)22)8-14(20)18(25)26/h1-6,13-14,21-22H,7-8,19-20H2,(H,23,24)(H,25,26) OQALFHMKVSJFRR-UHFFFAOYSA-N 360.36128 360.13214 NC(Cc1ccc(O)c(c1)-c1cc(CC(N)C(O)=O)ccc1O)C(O)=O Beilstein:2228674 CAS:980-21-2 PMID:15589368 PMID:17019703 PMID:24351276 PMID:24573970 3,3'-(6,6'-dihydroxybiphenyl-3,3'-diyl)bis(2-aminopropanoic acid) chebi_ontology 3,3'-dityrosine alpha,alpha'-diamino-6,6'-dihydroxy-(1,1'-biphenyl)-3,3'-dipropanoic acid bityrosine o,o-dityrosine CHEBI:50607 dityrosine The D isomer of N-acetylglucosamine. 0 C8H15NO6 InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8?/m1/s1 OVRNDRQMDRJTHS-RTRLPJTCSA-N 221.20780 221.08994 CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O Beilstein:1913592 CAS:7512-17-6 DrugBank:DB00141 GlyGen:G64581RP GlyTouCan:G64581RP KEGG:C00140 PDBeChem:NAG PMID:11950472 PMID:21487204 PMID:6174502 PMID:7688662 2-acetamido-2-deoxy-D-glucopyranose N-Acetyl-D-glucosamine N-acetyl-D-glucosamine chebi_ontology 2-Acetamido-2-deoxy-D-glucose GlcNAc N-Acetylchitosamine WURCS=2.0/1,1,0/[a2122h-1x_1-5_2*NCC/3=O]/1/ CHEBI:506227 N-acetyl-D-glucosamine 0 C18H18ClN3O InChI=1S/C18H18ClN3O/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18/h2-7,12H,8-11H2,1H3 XJGVXQDUIWGIRW-UHFFFAOYSA-N 327.80784 327.11384 CN1CCN(CC1)C1=Nc2ccccc2Oc2ccc(Cl)cc12 CHEBI:50839 CHEBI:6548 Beilstein:626753 CAS:1977-10-2 DrugBank:DB00408 Drug_Central:1613 KEGG:C07104 KEGG:D02340 LINCS:LSM-2881 Patent:NL6406089 Patent:US3412193 Patent:US3546226 Wikipedia:Loxapine 2-chloro-11-(4-methylpiperazin-1-yl)dibenzo[b,f][1,4]oxazepine Loxapine chebi_ontology 2-chloro-11-(4-methyl-1-piperazinyl)dibenz[b,f][1,4]oxazepine Cloxazepine loxapina loxapine loxapinum oxilapine CHEBI:50841 loxapine Any molecular entity that contains carbon. CHEBI:25700 CHEBI:33244 chebi_ontology organic compounds organic entity organic molecular entities CHEBI:50860 organic molecular entity An organic heterotricyclic compound that is 5,6-dihydro-4H-imidazo[1,5-a][1,4]benzodiazepine which is substituted at positions 3, 5, 6, and 8 by ethoxycarbonyl, methyl, oxo, and fluoro groups, respectively. It is used as an antidote to benzodiazepine overdose. 0 C15H14FN3O3 InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3 OFBIFZUFASYYRE-UHFFFAOYSA-N 303.289 303.10192 C1=NC(=C2N1C=3C(C(N(C2)C)=O)=CC(=CC3)F)C(OCC)=O Beilstein:4763661 CAS:78755-81-4 DrugBank:DB01205 Drug_Central:1195 HMDB:HMDB0015336 KEGG:C07825 KEGG:D00697 LINCS:LSM-4228 PMID:11881583 PMID:23126253 PMID:23431889 PMID:24563235 PMID:26324010 PMID:26469689 Reaxys:4763661 Wikipedia:Flumazenil ethyl 8-fluoro-5-methyl-6-oxo-5,6-dihydro-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate chebi_ontology Anexate Lanexat flumazenil flumazenilo flumazenilum CHEBI:5103 flumazenil 0 C17H22N4O InChI=1S/C17H22N4O/c1-14-13-16(15-5-3-2-4-6-15)19-20-17(14)18-7-8-21-9-11-22-12-10-21/h2-6,13H,7-12H2,1H3,(H,18,20) LDMWSLGGVTVJPG-UHFFFAOYSA-N 298.38294 298.17936 Cc1cc(nnc1NCCN1CCOCC1)-c1ccccc1 Beilstein:1219740 CAS:25905-77-5 DrugBank:DB00805 Drug_Central:1812 KEGG:D05039 LINCS:LSM-2037 Patent:DE2229215 Patent:US4169158 4-methyl-N-(2-morpholin-4-ylethyl)-6-phenylpyridazin-3-amine chebi_ontology 4-(2-((4-Methyl-6-phenyl-3-pyridazinyl)amino)ethyl)morpholine 4-Methyl-3-(2-morpholinoethylamino)-6-phenylpyridazin N-(4-Methyl-6-phenyl-3-pyridazinyl)-4-morpholineethanamine minaprina minaprine minaprinum CHEBI:51038 minaprine A role played by the molecular entity or part thereof within a chemical context. chebi_ontology CHEBI:51086 chemical role CHEBI:25556 CHEBI:7594 KEGG:C06061 chebi_ontology Nitrogenous compounds nitrogen compounds nitrogen molecular entities CHEBI:51143 nitrogen molecular entity A racemate comprising equimolar amounts of (R)- and (S)-fluoxetine. A selective serotonin reuptake inhibitor (SSRI), it is used (generally as the hydrochloride salt) for the treatment of depression (and the depressive phase of bipolar disorder), bullimia nervosa, and obsessive-compulsive disorder. 0 C17H18F3NO 309.32610 309.13405 Beilstein:39914106 CAS:54910-89-3 DrugBank:DB00472 HMDB:HMDB0014615 KEGG:D00326 PMID:19144769 PMID:22903652 PMID:22923967 PMID:23885544 PMID:24184049 PMID:24399719 PMID:24464553 PMID:24997906 PMID:25448156 PMID:25639887 PMID:25671301 PMID:8694321 Patent:DE2500110 Patent:US4314081 Reaxys:3991406 Wikipedia:Fluoxetine rac-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine chebi_ontology (+-)-N-methyl-3-phenyl-3-((alpha,alpha,alpha-trifluoro-p-tolyl)oxy)propylamine (+-)-N-methyl-gamma-(4-(trifluoromethyl)phenoxy)benzenepropanamine Prozac fluoxetina fluoxetine fluoxetinum CHEBI:5118 fluoxetine A member of the class of phenothiazines that is 10H-phenothiazine having a trifluoromethyl subsitituent at the 2-position and a 3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl group at the N-10 position. 0 C22H26F3N3OS InChI=1S/C22H26F3N3OS/c23-22(24,25)17-6-7-21-19(16-17)28(18-4-1-2-5-20(18)30-21)9-3-8-26-10-12-27(13-11-26)14-15-29/h1-2,4-7,16,29H,3,8-15H2 PLDUPXSUYLZYBN-UHFFFAOYSA-N 437.52200 437.17487 OCCN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1 Beilstein:1189506 Beilstein:61643 CAS:69-23-8 DrugBank:DB00623 Drug_Central:1212 Gmelin:1231182 HMDB:HMDB0014761 KEGG:C07010 KEGG:D07977 LINCS:LSM-3226 PMID:13950763 PMID:16117689 PMID:1650428 PMID:16839522 PMID:25595294 PMID:5128930 Patent:GB829246 Patent:GB833474 Patent:US3058979 Patent:US3194733 Reaxys:61643 Wikipedia:Fluphenazine 2-(4-{3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl}piperazin-1-yl)ethan-1-ol Fluphenazine chebi_ontology 1-(2-hydroxyethyl)-4-(3-(trifluoromethyl-10-phenothiazinyl)propyl)-piperazine 10-(3'-(4''-(beta-hydroxyethyl)-1''-piperazinyl)-propyl)-3-trifluoromethylphenothiazine 10-(3-(2-hydroxyethyl)piperazinopropyl)-2-(trifluoromethyl)phenothiazine 2-(4-(3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl)-1-piperazinyl)ethanol 2-(trifluoromethyl)-10-(3-(1-(beta-hydroxyethyl)-4-piperazinyl)propyl)phenothiazine 4-(3-(-trifluoromethyl-10-phenothiazyl)-propyl)-1-piperazineethanol 4-(3-(2-(trifluoromethyl)-10H-phenothiazin-10-yl)propyl)-1-piperazineethanol 4-(3-(2-trifluoromethyl-10-phenothiazyl)-propyl)-1-piperazineethanol Fluorfenazine Fluorophenazine Fluorphenazine Triflumethazine flufenazina fluphenazine fluphenazinum CHEBI:5123 fluphenazine A compound of general formula RC(=O)SR'. Compare with thionoester, RC(=S)OR'. 0 COSR2 60.07500 59.96699 [*]C(=O)S[*] chebi_ontology thio ester thioesters thiol ester CHEBI:51277 thioester A 1,4-benzodiazepinone that is 1,3-dihydro-2H-1,4-benzodiazepin-2-one substituted by a 2-(diethylamino)ethyl group, 2-fluorophenyl group and chloro group at positions 1, 5 and 7, respectively. It is a partial agonist of GABAA receptors and used for the treatment of insomnia. 0 C21H23ClFN3O InChI=1S/C21H23ClFN3O/c1-3-25(4-2)11-12-26-19-10-9-15(22)13-17(19)21(24-14-20(26)27)16-7-5-6-8-18(16)23/h5-10,13H,3-4,11-12,14H2,1-2H3 SAADBVWGJQAEFS-UHFFFAOYSA-N 387.880 387.15137 C(CN(CC)CC)N1C=2C(C(=NCC1=O)C3=CC=CC=C3F)=CC(=CC2)Cl CAS:17617-23-1 DrugBank:DB00690 Drug_Central:1218 HMDB:HMDB0014828 KEGG:D00329 PDBeChem:FL7 PMID:16501350 PMID:20002022 PMID:23035248 PMID:2863335 Wikipedia:Flurazepam 7-chloro-1-[2-(diethylamino)ethyl]-5-(2-fluorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one chebi_ontology Insumin Ro 5-6901 flurazepam flurazepamum CHEBI:5128 flurazepam An oxime O-ether that is benzene substituted by a (1E)-N-(2-aminoethoxy)-5-methoxypentanimidoyl group at position 1 and a trifluoromethyl group at position 4. It is a selective serotonin reuptake inhibitor that is used for the treatment of obsessive-compulsive disorder. 0 C15H21F3N2O2 InChI=1S/C15H21F3N2O2/c1-21-10-3-2-4-14(20-22-11-9-19)12-5-7-13(8-6-12)15(16,17)18/h5-8H,2-4,9-11,19H2,1H3/b20-14+ CJOFXWAVKWHTFT-XSFVSMFZSA-N 318.340 318.15551 COCCCC\C(=N/OCCN)C1=CC=C(C=C1)C(F)(F)F Beilstein:5583954 CAS:54739-18-3 Chemspider:4481878 DrugBank:DB00176 Drug_Central:1230 HMDB:HMDB0014322 KEGG:C07571 KEGG:D07984 MetaCyc:CPD-20520 PDBeChem:FVX PMID:10456487 PMID:11825104 PMID:12107854 PMID:15686112 PMID:16316311 PMID:18976545 PMID:20025739 PMID:20573265 PMID:22859721 PMID:24121440 PMID:29379174 PMID:30690950 PMID:30734885 PMID:31807102 PMID:31807753 PMID:32618683 PMID:32672818 PMID:33180097 PMID:33392622 PMID:7988100 PMID:9164424 Patent:NL7503310 Patent:US4085225 Wikipedia:Fluvoxamine (1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan-1-one O-(2-aminoethyl)oxime Fluvoxamine chebi_ontology 2-{[(E)-{5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene}amino]oxy}ethan-1-amine O-(2-aminoethyl)-N-{(1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene}hydroxylamine fluvoxamina fluvoxamine fluvoxaminum CHEBI:5138 fluvoxamine A phosphinate ester-containing N-acyl derivative of (4S)-cyclohexyl-L-proline. It is used for the treatment of hypertension and heart failure. A pro-drug, it is hydrolysed in vivo to the corresponding phosphininc acid, fosinoprilat, which is the active metabolite. 0 C30H46NO7P InChI=1S/C30H46NO7P/c1-4-28(33)37-30(22(2)3)38-39(36,18-12-11-15-23-13-7-5-8-14-23)21-27(32)31-20-25(19-26(31)29(34)35)24-16-9-6-10-17-24/h5,7-8,13-14,22,24-26,30H,4,6,9-12,15-21H2,1-3H3,(H,34,35)/t25-,26+,30?,39?/m1/s1 BIDNLKIUORFRQP-FKDWWROVSA-N 563.66250 563.30119 [H][C@]1(C[C@H](N(C1)C(=O)CP(=O)(CCCCc1ccccc1)OC(OC(=O)CC)C(C)C)C(O)=O)C1CCCCC1 CHEBI:159901 CHEBI:288733 Beilstein:8176492 CAS:98048-97-6 DrugBank:DB00492 KEGG:C07016 KEGG:D07992 LINCS:LSM-6485 PMID:11937741 PMID:18209565 PMID:22729889 PMID:8285178 PMID:9195116 Patent:CN101367839 Patent:EP2264039 Patent:US2010297711 Patent:US4337201 (4S)-4-cyclohexyl-1-({[2-methyl-1-(propanoyloxy)propoxy](4-phenylbutyl)phosphoryl}acetyl)-L-proline Fosinopril chebi_ontology (2S,4S)-4-cyclohexyl-1-[2-[(2-methyl-1-propanoyloxypropoxy)-(4-phenylbutyl)phosphoryl]acetyl]pyrrolidine-2-carboxylic acid (2S,4S)-4-cyclohexyl-1-{2-[(2-methyl-1-propionyloxy-propoxy)-(4-phenyl-butyl)-phosphinoyl]-acetyl}-pyrrolidine-2-carboxylic acid (S)-4-Cyclohexyl-1-{2-[(2-methyl-1-propionyloxy-propoxy)-(4-phenyl-butyl)-phosphinoyl]-acetyl}-pyrrolidine-2-carboxylic acid fosinopril CHEBI:5163 fosinopril A biological role played by the molecular entity or part thereof within a biochemical context. chebi_ontology CHEBI:52206 biochemical role A biological role which describes how a drug interacts within a biological system and how the interactions affect its medicinal properties. chebi_ontology CHEBI:52210 pharmacological role chebi_ontology CHEBI:52211 physiological role Any substance introduced into a living organism with therapeutic or diagnostic purpose. CHEBI:33293 CHEBI:33294 chebi_ontology farmaco medicament pharmaceuticals CHEBI:52217 pharmaceutical A racemate comprising equimolar amounts of (R)- and (S)-donepezil. A centrally acting reversible acetylcholinesterase inhibitor, its main therapeutic use is in the treatment of Alzheimer's disease where it is used to increase cortical acetylcholine. 0 C24H29NO3 InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3 ADEBPBSSDYVVLD-UHFFFAOYSA-N 379.500 379.21474 C1(=C(C=C2C(=C1)CC(C2=O)(CC3CCN(CC3)CC4=CC=CC=C4)[H])OC)OC Beilstein:7081955 CAS:120014-06-4 DrugBank:DB00843 Drug_Central:946 KEGG:D07869 LINCS:LSM-1598 Reaxys:7081955 Wikipedia:Donepezil chebi_ontology donepezil donepezilo donepezilum CHEBI:53289 donepezil 0 C6H13NO5 179.171 179.07937 DrugBank:DB01296 KEGG:C01811 2-amino-2-deoxyglucose Glucosamine glucosamine chebi_ontology 2-Amino-2-deoxy-glucose GlcN Glucosamin Glukosamin CHEBI:5417 glucosamine An aldotriose comprising propanal having hydroxy groups at the 2- and 3-positions. It plays role in the formation of advanced glycation end-products (AGEs), a deleterious accompaniment to ageing. 0 C3H6O3 InChI=1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2 MNQZXJOMYWMBOU-UHFFFAOYSA-N 90.07794 90.03169 [H]C(=O)C(O)CO CHEBI:24343 CHEBI:387614 Beilstein:635844 CAS:367-47-5 CAS:56-82-6 DrugBank:DB02536 Gmelin:164389 HMDB:HMDB0001051 KEGG:C02154 KNApSAcK:C00007413 MetaCyc:CPD0-1551 PMID:18087047 PMID:18256486 PMID:18791692 PMID:20371493 PMID:21707087 PMID:23543734 PMID:9506998 Reaxys:635844 Wikipedia:Glyceraldehyde 2,3-dihydroxypropanal Glyceraldehyde glyceraldehyde chebi_ontology (+-)-glyceraldehyde 2,3-Dihydroxypropanal 2,3-Dihydroxypropionaldehyde Aldotriose DL-glyceraldehyde Glyceraldehyd Glycerinaldehyd Glycerose Glyzerinaldehyd alpha,beta-dihydroxypropionaldehyde gliceraldehido glyceric aldehyde glycerinaldehyde glycerinformal glycerose CHEBI:5445 glyceraldehyde A compound composed of a central piperidine structure with hydroxy and p-chlorophenyl substituents at position 4 and an N-linked p-fluorobutyrophenone moiety. 0 C21H23ClFNO2 InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2 LNEPOXFFQSENCJ-UHFFFAOYSA-N 375.86400 375.14013 OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Beilstein:331267 CAS:52-86-8 DrugBank:DB00502 Drug_Central:1353 KEGG:C01814 KEGG:D00136 LINCS:LSM-3512 PMID:10628896 PMID:11304647 PMID:25007358 PMID:6725621 PMID:7602118 Patent:BE577977 Patent:GB895309 Patent:US3438991 Reaxys:331267 Wikipedia:Haloperidol 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one chebi_ontology 1-(3-p-fluorobenzoylpropyl)-4-p-chlorophenyl-4-hydroxypiperidine 4'-fluoro-4-(4-(p-chlorophenyl)-4-hydroxypiperidinyl)butyrophenone 4'-fluoro-4-(4-hydroxy-4-(4'-chlorophenyl)piperidino)butyrophenone 4-(4-(para-chlorophenyl)-4-hydroxypiperidino)-4'-fluorobutyrophenone 4-[4-(4-chlorophenyl)-4-hydroxy-1-piperidyl]-1-(4-fluorophenyl)-butan-1-one Haldol gamma-(4-(p-chlorophenyl)-4-hydroxpiperidino)-p-fluorbutyrophenone haloperidol haloperidolum CHEBI:5613 haloperidol A dialdehyde that is propane substituted by two oxo groups at the terminal carbon atoms respectively. A biomarker of oxidative damage to lipids caused by smoking, it exists in vivo mainly in the enol form. 0 C3H4O2 InChI=1S/C3H4O2/c4-2-1-3-5/h2-3H,1H2 WSMYVTOQOOLQHP-UHFFFAOYSA-N 72.06270 72.02113 O=CCC=O CHEBI:43895 Beilstein:1209262 CAS:542-78-9 DrugBank:DB03057 Gmelin:362229 KEGG:C19440 PDBeChem:MDD PMID:15583011 PMID:17548130 PMID:23900424 PMID:24168430 PMID:28600633 PMID:28600933 PMID:28783520 PMID:29348025 Reaxys:1209262 malonaldehyde propanedial chebi_ontology 1,3-Propanedial 1,3-Propanedialdehyde 1,3-Propanedione MDA MDD Malondialdehyde Malonic aldehyde Malonic dialdehyde Malonodialdehyde Malonyldialdehyde CHEBI:566274 malonaldehyde A cyclic compound having as ring members atoms of at least two different elements. Heterocyclic compound chebi_ontology compuesto heterociclico compuestos heterociclicos heterocycle heterocyclic compounds CHEBI:5686 heterocyclic compound An O-acyl-L-carnitine where the acyl group specified is acetyl. It facilitates movement of acetyl-CoA into the matrices of mammalian mitochondria during the oxidation of fatty acids. 0 C9H17NO4 InChI=1S/C9H17NO4/c1-7(11)14-8(5-9(12)13)6-10(2,3)4/h8H,5-6H2,1-4H3/t8-/m1/s1 RDHQFKQIGNGIED-MRVPVSSYSA-N 203.23560 203.11576 CC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C Beilstein:3667658 CAS:3040-38-8 Drug_Central:64 HMDB:HMDB0000201 KEGG:C02571 MetaCyc:O-ACETYLCARNITINE PMID:22770225 Reaxys:3667658 Wikipedia:Acetyl-L-carnitine (3R)-3-(acetyloxy)-4-(trimethylazaniumyl)butanoate chebi_ontology (-)-Acetylcarnitine (R)-Acetylcarnitine Acetyl-L-(-)-carnitine Acetyl-L-carnitine L-Acetylcarnitine L-Carnitine acetyl ester L-O-Acetylcarnitine O-acetyl-(R)-carnitine R-Acetylcarnitine CHEBI:57589 O-acetyl-L-carnitine The conjugate base of 3-mercaptopyruvic acid. -1 C3H3O3S InChI=1S/C3H4O3S/c4-2(1-7)3(5)6/h7H,1H2,(H,5,6)/p-1 OJOLFAIGOXZBCI-UHFFFAOYSA-M 119.11900 118.98084 [O-]C(=O)C(=O)CS Beilstein:3933339 2-oxo-3-sulfanylpropanoate chebi_ontology 2-oxo-3-sulfanylpropanoate CHEBI:57678 3-mercaptopyruvate A monocarboxylic acid that is propionic acid in which one of the hydrogens at position 2 is substituted by a 4-(2-methylpropyl)phenyl group. 0 C13H18O2 InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15) HEFNNWSXXWATRW-UHFFFAOYSA-N 206.28082 206.13068 CC(C)Cc1ccc(cc1)C(C)C(O)=O Beilstein:2049713 CAS:15687-27-1 DrugBank:DB01050 Drug_Central:1407 HMDB:HMDB0001925 KEGG:C01588 KEGG:D00126 LINCS:LSM-1354 PMID:11433218 PMID:12723739 PMID:14562167 PMID:15506544 PMID:16176022 PMID:18335846 PMID:18697608 PMID:21368281 PMID:24168233 PMID:25708941 PMID:25915907 PMID:29756342 Patent:GB971700 Patent:US3228831 Patent:US3385886 Patent:US5215755 Patent:US6727286 Reaxys:2049713 Wikipedia:Ibuprofen 2-[4-(2-methylpropyl)phenyl]propanoic acid Ibuprofen chebi_ontology (+-)-2-(p-isobutylphenyl)propionic acid (+-)-alpha-methyl-4-(2-methylpropyl)benzeneacetic acid (+-)-ibuprofen (+-)-p-isobutylhydratropic acid (4-isobutylphenyl)-alpha-methylacetic acid (RS)-ibuprofen 2-(4-isobutylphenyl)propanoic acid 4-isobutylhydratropic acid Adran Advil Amibufen Anco Anflagen Apsifen Bluton Brufen Brufort Buburone Butylenin Dolgin Dolgirid Dolgit Dolo-Dolgit Ebufac Epobron Femadon Haltran Ibu-Attritin Ibumetin Ibuprocin Ibutid Inabrin Inoven Lamidon Lebrufen Liptan Medipren Motrin Mynosedin Nobfen Nobgen Nuprin Nurofen Pediaprofen Roidenin Rufen Seclodin Suspren Tabalon Trendar Urem alpha-(4-isobutylphenyl)propionic acid alpha-(p-isobutylphenyl)propionic acid CHEBI:5855 ibuprofen A phenothiazine derivative in which 10H-phenothiazinecarries a 3-(4-methylpiperazin-1-yl)propyl substituent at the N-10 position. 0 C20H25N3S InChI=1S/C20H25N3S/c1-21-13-15-22(16-14-21)11-6-12-23-17-7-2-4-9-19(17)24-20-10-5-3-8-18(20)23/h2-5,7-10H,6,11-16H2,1H3 WEYVCQFUGFRXOM-UHFFFAOYSA-N 339.49800 339.17692 CN1CCN(CCCN2c3ccccc3Sc3ccccc23)CC1 Beilstein:39009 CAS:84-97-9 Drug_Central:2100 Gmelin:298041 KEGG:C16903 PMID:1650428 PMID:19904008 PMID:23479940 PMID:24425538 Patent:GB780193 Reaxys:39009 Wikipedia:Perazine 10-[3-(4-methylpiperazin-1-yl)propyl]-10H-phenothiazine chebi_ontology 10-(3-(4-Methyl-1-piperazinyl)propyl)-10H-phenothiazine N-(3-(4-Methyl-1-piperazinyl)propyl)phenothiazine N-Methyl-piperazinyl-N'-propyl-phenothiazin N-Methyl-piperazinylpropyl-phenothiazine Pernazine CHEBI:59118 perazine A chemical substance is a portion of matter of constant composition, composed of molecular entities of the same type or of different types. chebi_ontology Chemische Substanz CHEBI:59999 chemical substance A mixture is a chemical substance composed of multiple molecules, at least two of which are of a different kind. chebi_ontology Mischung CHEBI:60004 mixture A polymer is a mixture, which is composed of macromolecules of different kinds and which may be differentiated by composition, length, degree of branching etc.. Wikipedia:Polymer Polymer chebi_ontology Kunststoff CHEBI:60027 polymer A derivative of phosphatidylinositol in which the inositol ring is phosphorylated at three unspecified positions. chebi_ontology phosphatidylinositol trisphosphates CHEBI:60169 phosphatidylinositol trisphosphate Insoluble fibrous protein aggregates exhibiting beta sheet structure. chebi_ontology CHEBI:60425 amyloid fibril Any substance that inhibits the action of N-methyl-D-aspartate (NMDA) receptors. They tend to induce a state known as dissociative anesthesia, marked by catalepsy, amnesia, and analgesia, while side effects can include hallucinations, nightmares, and confusion. Due to their psychotomimetic effects, many NMDA receptor antagonists are used as recreational drugs. CHEBI:60797 chebi_ontology N-methyl-D-aspartate receptor antagonist N-methyl-D-aspartate receptor antagonists NMDA receptor antagonists NMDAR antagonist NMDAR antagonists CHEBI:60643 NMDA receptor antagonist A racemate is an equimolar mixture of a pair of enantiomers. chebi_ontology melange racemique racemates racemic mixture CHEBI:60911 racemate A nucleoside bisphosphate that has a purine nucleobase. chebi_ontology purine nucleoside bisphosphates CHEBI:61078 purine nucleoside bisphosphate A nucleoside bisphosphate where sugar of the nucleoside is ribose. chebi_ontology ribonucleoside bisphosphates CHEBI:61079 ribonucleoside bisphosphate