CHEBI:36438 - (9Z,13S,15Z)-12,13-epoxyoctadeca-9,11,15-trienoate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (9Z,13S,15Z)-12,13-epoxyoctadeca-9,11,15-trienoate
ChEBI ID CHEBI:36438
ChEBI ASCII Name (9Z,13S,15Z)-12,13-epoxyoctadeca-9,11,15-trienoate
Definition An unsaturated fatty acid anion resulting from the removal of a proton from the carboxy group of (9Z,13S,15Z)-12,13-epoxyoctadeca-9,11,15-trienoic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:18615, CHEBI:10939
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C18H27O3
Net Charge -1
Average Mass 291.40518
Monoisotopic Mass 291.19657
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)/p-1/b10-3-,11-8-,17-14?/t16-/m0/s1
InChIKey YZBZORUZOSCZRN-YWHLHSFDSA-M
SMILES [H]C(\C=C/CCCCCCCC([O-])=O)=C1O[C@H]1C\C=C/CC
ChEBI Ontology
Outgoing (9Z,13S,15Z)-12,13-epoxyoctadeca-9,11,15-trienoate (CHEBI:36438) has functional parent 9,11,15-octadecatrienoate (CHEBI:38390)
(9Z,13S,15Z)-12,13-epoxyoctadeca-9,11,15-trienoate (CHEBI:36438) is a long-chain fatty acid anion (CHEBI:57560)
(9Z,13S,15Z)-12,13-epoxyoctadeca-9,11,15-trienoate (CHEBI:36438) is a polyunsaturated fatty acid anion (CHEBI:76567)
(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)
Incoming (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)
IUPAC Name
(9Z)-11-{(3S)-3-[(2Z)-pent-2-en-1-yl]oxiran-2-ylidene}undec-9-enoate
Synonyms Sources
(9Z)-(13S)-12,13-Epoxyoctadeca-9,11,15-trienoate KEGG COMPOUND
(9Z,13S,15Z)-12,13-epoxyoctadeca-9,11,15-trienoate UniProt
Manual Xref Database
C04672 KEGG COMPOUND
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Last Modified
29 January 2015