<?xml version="1.0" encoding="UTF-8"?> <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:obo_purl="http://purl.obolibrary.org/obo/" xmlns:owl="http://www.w3.org/2002/07/owl#" xmlns:rdfs="http://www.w3.org/2000/01/rdf-schema#" xmlns:skos="http://www.w3.org/2004/02/skos/core#" xmlns:oboinowl_gen="http://www.geneontology.org/formats/oboInOwl#" xmlns:metadata_def="http://data.bioontology.org/metadata/def/"> <owl:Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_71182"> <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_24532"/> <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_37622"/> <rdfs:label>trans-3-hydroxycotinine</rdfs:label> <skos:notation>CHEBI:71182</skos:notation> <obo_purl:IAO_0000115>An N-alkylpyrrolidine that is cotinine substituted at position C-3 by a hydroxy group (the 3R,5S-diastereomer).</obo_purl:IAO_0000115> <oboinowl_gen:hasExactSynonym>(3R,5S)-3-hydroxy-1-methyl-5-(pyridin-3-yl)pyrrolidin-2-one</oboinowl_gen:hasExactSynonym> <oboinowl_gen:hasDbXref>PMID:22770225</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>CAS:34834-67-8</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>HMDB:HMDB0001390</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>MetaCyc:CPD-2750</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:14680362</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:19838828</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:21208832</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:2131824</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:21689995</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:22014744</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:22228205</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:22394455</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:23313774</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>Reaxys:11561</oboinowl_gen:hasDbXref> <oboinowl_gen:hasOBONamespace>chebi_ontology</oboinowl_gen:hasOBONamespace> <oboinowl_gen:id>CHEBI:71182</oboinowl_gen:id> <oboinowl_gen:inSubset rdf:resource="http://purl.obolibrary.org/obo/chebi#3_STAR"/> <metadata_def:prefLabel>trans-3-hydroxycotinine</metadata_def:prefLabel> <oboinowl_gen:hasRelatedSynonym>3-Hydroxy-1-methyl-5-(3-pyridinyl)-2-pyrrolidinone</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>Hydroxycotinine</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>trans-3'-Hydroxycotinine</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>(3R-trans)-3-hydroxy-1-methyl-5-(3-pyridinyl)-2-Pyrrolidinone</oboinowl_gen:hasRelatedSynonym> <metadata_def:mappingLoom>trans3hydroxycotinine</metadata_def:mappingLoom> <metadata_def:mappingSameURI rdf:resource="http://purl.obolibrary.org/obo/CHEBI_71182"/> <obo_purl:chebi/charge>0</obo_purl:chebi/charge> <obo_purl:chebi/formula>C10H12N2O2</obo_purl:chebi/formula> <obo_purl:chebi/inchi>InChI=1S/C10H12N2O2/c1-12-8(5-9(13)10(12)14)7-3-2-4-11-6-7/h2-4,6,8-9,13H,5H2,1H3/t8-,9+/m0/s1</obo_purl:chebi/inchi> <obo_purl:chebi/inchikey>XOKCJXZZNAUIQN-DTWKUNHWSA-N</obo_purl:chebi/inchikey> <obo_purl:chebi/mass>192.21450</obo_purl:chebi/mass> <obo_purl:chebi/monoisotopicmass>192.08988</obo_purl:chebi/monoisotopicmass> <obo_purl:chebi/smiles>[H][C@]1(C[C@@H](O)C(=O)N1C)c1cccnc1</obo_purl:chebi/smiles> </owl:Class> <rdf:Description rdf:about="http://www.ebi.ac.uk/efo/EFO_0010707"> <obo_purl:IAO_0000136> <rdf:Description rdf:about="http://purl.obolibrary.org/obo/CHEBI_71182"> <metadata_def:mappingSameURI rdf:resource="http://purl.obolibrary.org/obo/CHEBI_71182"/> </rdf:Description> </obo_purl:IAO_0000136> </rdf:Description> </rdf:RDF>