The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016
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Preferred Name

(-)-cotinine
Synonyms

cotinine

cotinina

(S)-Cotinine

(S)-(-)-Cotinine

(S)-1-Methyl-5-(3-pyridinyl)-2-pyrrolidinone

(5S)-1-methyl-5-(pyridin-3-yl)pyrrolidin-2-one

C10H12N2O

cotininum
ID

http://purl.obolibrary.org/obo/CHEBI_68641
Definition

An N-alkylpyrrolidine that consists of N-methylpyrrolidinone bearing a pyridin-3-yl substituent at position C-5 (the 5S-enantiomer).
has role

http://purl.obolibrary.org/obo/CHEBI_59163

http://purl.obolibrary.org/obo/CHEBI_35469
InChI

InChI=1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3/t9-/m0/s1
InChIKey

InChIKey=UIKROCXWUNQSPJ-VIFPVBQESA-N
label

(-)-cotinine
prefixIRI

obo2:CHEBI_68641
prefLabel

(-)-cotinine
SMILES

[H][C@]1(CCC(=O)N1C)c1cccnc1
Synonym

cotinine

cotinina

(S)-Cotinine

(S)-(-)-Cotinine

(S)-1-Methyl-5-(3-pyridinyl)-2-pyrrolidinone

(5S)-1-methyl-5-(pyridin-3-yl)pyrrolidin-2-one

C10H12N2O

cotininum
xref

CiteXplore:22899265

Wikipedia:Cotinine

CiteXplore:23087643

CiteXplore:22878732

CiteXplore:22253001

Reaxys:83099

CiteXplore:22678157

CiteXplore:22687995

Reaxys:5736575

CiteXplore:22574797

CiteXplore:22809871

CASRN:486-56-6

ChEMBL:681857

CiteXplore:21953524

CiteXplore:22919158

HMDB:HMDB01046

CiteXplore:22770225

CiteXplore:21655912

CiteXplore:22180597

CiteXplore:22434216

CiteXplore:22244928

CiteXplore:22169225

CiteXplore:23000417

CiteXplore:22027507

CiteXplore:22487419

CiteXplore:22489581

CiteXplore:22608097

MetaCyc:CPD-2742

CiteXplore:22200307

CiteXplore:22137886

CiteXplore:23011941

CiteXplore:22871902

CiteXplore:22460317
subClassOf

http://purl.obolibrary.org/obo/dinto_000055
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Mapping To Ontology Source
http://purl.obolibrary.org/obo/CHEBI_68641 CHEBI SAME_URI
http://purl.obolibrary.org/obo/CHEBI_68641 CCONT SAME_URI
http://purl.obolibrary.org/obo/CHEBI_68641 CHEAR SAME_URI
http://purl.obolibrary.org/obo/CHEBI_68641 EFO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_68641 BERO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_68641 HHEAR SAME_URI
http://purl.obolibrary.org/obo/CHEBI_68641 UPHENO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_68641 CHEBI LOOM
http://purl.bioontology.org/ontology/MESH/D003367 MESH LOOM
http://purl.jp/bio/4/id/200906043290726988 IOBC LOOM
http://purl.obolibrary.org/obo/CHEBI_68641 CCONT LOOM
http://purl.obolibrary.org/obo/CHEBI_68641 CHEAR LOOM
http://purl.obolibrary.org/obo/CHEBI_68641 EFO LOOM
http://purl.obolibrary.org/obo/CHEBI_68641 BERO LOOM
http://purl.obolibrary.org/obo/CHEBI_68641 HHEAR LOOM
http://purl.obolibrary.org/obo/CHEBI_68641 UPHENO LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D03.383.773.812.180 RH-MESH LOOM
http://stirdf.jst.go.jp/id/200907020000521320 IOBC LOOM
http://purl.obolibrary.org/obo/MESH_D003367 BERO LOOM
http://id.nlm.nih.gov/mesh/D003367 MDM LOOM
http://www.phoc.org.cn/pmo/class/PMO_00018480 PMAPP-PMO LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D003367 RH-MESH LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/115620009 SNOMEDCT LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#3400 OCHV LOOM
http://purl.obolibrary.org/obo/OMIT_0004667 OMIT LOOM
http://scai.fraunhofer.de/CSEO#Cotinine CSEO LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C70941 NCIT LOOM
http://purl.obolibrary.org/obo/NCIT_C70941 BERO LOOM
http://purl.bioontology.org/ontology/LNC/MTHU001342 LOINC LOOM
http://scai.fraunhofer.de/CSEO#cotinine CSEO LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#C0010194 OCHV LOOM
http://purl.bioontology.org/ontology/LNC/LP14564-6 LOINC LOOM