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CHEBI:132678 - 11-hydroxy-(12S,13S)-epoxy-(9Z)-octadecenoic acid

ChEBI IDCHEBI:132678
ChEBI Name11-hydroxy-(12S,13S)-epoxy-(9Z)-octadecenoic acid
Stars
ASCII Name11-hydroxy-(12S,13S)-epoxy-(9Z)-octadecenoic acid
DefinitionAn epoxy fatty acid that is (9Z)-11-hydroxyoctadecenoic acid in which the epoxy group is located across positions 12 and 13.
Last Modified18 July 2016
SubmitterSteve
DownloadsMolfile
FormulaC18H32O4
Net Charge0
Average Mass312.450
Monoisotopic Mass312.23006
SMILESCCCCC[C@@H]1O[C@H]1C(O)/C=C\CCCCCCCC(=O)O
InChIInChI=1S/C18H32O4/c1-2-3-9-13-16-18(22-16)15(19)12-10-7-5-4-6-8-11-14-17(20)21/h10,12,15-16,18-19H,2-9,11,13-14H2,1H3,(H,20,21)/b12-10-/t15?,16-,18-/m0/s1
InChIKeyUZCLYICSWADYGM-VHIAHCGJSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (20923767)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
ChEBI Ontology
Outgoing Relation(s)
11-hydroxy-(12S,13S)-epoxy-(9Z)-octadecenoic acid (CHEBI:132678) has role human xenobiotic metabolite (CHEBI:76967)
11-hydroxy-(12S,13S)-epoxy-(9Z)-octadecenoic acid (CHEBI:132678) is a epoxy fatty acid (CHEBI:61498)
11-hydroxy-(12S,13S)-epoxy-(9Z)-octadecenoic acid (CHEBI:132678) is a hydroxy fatty acid (CHEBI:24654)
11-hydroxy-(12S,13S)-epoxy-(9Z)-octadecenoic acid (CHEBI:132678) is a long-chain fatty acid (CHEBI:15904)
11-hydroxy-(12S,13S)-epoxy-(9Z)-octadecenoic acid (CHEBI:132678) is a monounsaturated fatty acid (CHEBI:25413)
11-hydroxy-(12S,13S)-epoxy-(9Z)-octadecenoic acid (CHEBI:132678) is a octadecanoid (CHEBI:36326)
11-hydroxy-(12S,13S)-epoxy-(9Z)-octadecenoic acid (CHEBI:132678) is conjugate acid of 11-hydroxy-(12S,13S)-epoxy-(9Z)-octadecenoate(1−) (CHEBI:132064)
Incoming Relation(s)
11-hydroxy-(12S,13S)-epoxy-(9Z)-octadecenoate(1−) (CHEBI:132064) is conjugate base of 11-hydroxy-(12S,13S)-epoxy-(9Z)-octadecenoic acid (CHEBI:132678)
IUPAC Name 
(9Z)-11-hydroxy-11-[(2S,3S)-3-pentyloxiran-2-yl]undec-9-enoic acid
Citations