(9Z,13S,15Z)-12,13-epoxyoctadeca-9,11,15-trienoic acid (CHEBI:15653)

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CHEBI:15653 - (9Z,13S,15Z)-12,13-epoxyoctadeca-9,11,15-trienoic acid

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ChEBI ID	CHEBI:15653
ChEBI Name	(9Z,13S,15Z)-12,13-epoxyoctadeca-9,11,15-trienoic acid
Stars
ASCII Name	(9Z,13S,15Z)-12,13-epoxyoctadeca-9,11,15-trienoic acid
Definition	A long-chain trienoic fatty acid consisting of octadecanoic acid having the three double bonds at positions 9, 11 and 15 as well as an epoxy ring linking positions 12 and 13.
Secondary ChEBI IDs	CHEBI:262, CHEBI:18616
Last Modified	3 August 2014
Submitter	Marcus Ennis
Downloads	Molfile

Formula	C18H28O3
Net Charge	0
Average Mass	292.419
Monoisotopic Mass	292.20384
SMILES	[H]C(/C=C\CCCCCCCC(=O)O)=C1O[C@H]1C/C=C\CC
InChI	InChI=1S/C18H28O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h3,8,10-11,14,16H,2,4-7,9,12-13,15H2,1H3,(H,19,20)/b10-3-,11-8-,17-14?/t16-/m0/s1
InChIKey	YZBZORUZOSCZRN-YWHLHSFDSA-N

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	(9Z,13S,15Z)-12,13-epoxyoctadeca-9,11,15-trienoic acid (CHEBI:15653) has functional parent 9,11,15-octadecatrienoic acid (CHEBI:38387)
	(9Z,13S,15Z)-12,13-epoxyoctadeca-9,11,15-trienoic acid (CHEBI:15653) is a epoxy fatty acid (CHEBI:61498)
	(9Z,13S,15Z)-12,13-epoxyoctadeca-9,11,15-trienoic acid (CHEBI:15653) is a long-chain fatty acid (CHEBI:15904)
	(9Z,13S,15Z)-12,13-epoxyoctadeca-9,11,15-trienoic acid (CHEBI:15653) is a trienoic fatty acid (CHEBI:73155)
	(9Z,13S,15Z)-12,13-epoxyoctadeca-9,11,15-trienoic acid (CHEBI:15653) is conjugate acid of (9Z,13S,15Z)-12,13-epoxyoctadeca-9,11,15-trienoate (CHEBI:36438)
Incoming Relation(s)
Incoming Relation(s)	(9Z,13S,15Z)-12,13-epoxyoctadeca-9,11,15-trienoate (CHEBI:36438) is conjugate base of (9Z,13S,15Z)-12,13-epoxyoctadeca-9,11,15-trienoic acid (CHEBI:15653)

IUPAC Name
(9Z)-11-{(3S)-3-[(2Z)-pent-2-en-1-yl]oxiran-2-ylidene}undec-9-enoic acid

Synonyms	Source
12,13(S)-EOT	KEGG COMPOUND
(9Z,15Z)-(13S)-12,13-Epoxyoctadeca-9,11,15-trienoic acid	KEGG COMPOUND
12,13(S)-epoxy-9(Z),11,15(Z)-octadecatrienoic acid	ChEBI
12,13(S)-epoxylinolenic acid	MetaCyc
12,13-EOT	MetaCyc
(9Z,15Z)-(13S)-12,13-Epoxyoctadeca-9,11,15-trienoate	KEGG COMPOUND

Manual Xrefs	Databases
C04672	KEGG COMPOUND
LMFA02000053	LIPID MAPS
CPD-728	MetaCyc