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

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ChEBI Name 11-hydroxy-(12S,13S)-epoxy-(9Z)-octadecenoic acid
ChEBI ID CHEBI:132678
ChEBI ASCII Name 11-hydroxy-(12S,13S)-epoxy-(9Z)-octadecenoic acid
Definition An epoxy fatty acid that is (9Z)-11-hydroxyoctadecenoic acid in which the epoxy group is located across positions 12 and 13.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C18H32O4
Net Charge 0
Average Mass 312.445
Monoisotopic Mass 312.23006
InChI InChI=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
InChIKey UZCLYICSWADYGM-VHIAHCGJSA-N
SMILES C(CCCCCCC/C=C\C([C@H]1[C@H](CCCCC)O1)O)(=O)O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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
Citation Waiting for Citations Type Source
20923767 PubMed citation Europe PMC
Last Modified
18 July 2016