CHEBI:134055 - (9Z,11Z,13S,15Z)-12,13-epoxyoctadecatrienoate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (9Z,11Z,13S,15Z)-12,13-epoxyoctadecatrienoate
ChEBI ID CHEBI:134055
ChEBI ASCII Name (9Z,11Z,13S,15Z)-12,13-epoxyoctadecatrienoate
Definition An octadecanoid anion that is the conjugate base of (9Z,11Z,13S,15Z)-12,13-epoxyoctadecatrienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter laimo
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C18H27O3
Net Charge -1
Average Mass 291.406
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-DCUPSMFCSA-M
SMILES C(CC/C=C\C=C\1/O[C@H]1C/C=C\CC)CCCCC(=O)[O-]
ChEBI Ontology
Outgoing (9Z,11Z,13S,15Z)-12,13-epoxyoctadecatrienoate (CHEBI:134055) is a long-chain fatty acid anion (CHEBI:57560)
(9Z,11Z,13S,15Z)-12,13-epoxyoctadecatrienoate (CHEBI:134055) is a octadecanoid anion (CHEBI:131860)
(9Z,11Z,13S,15Z)-12,13-epoxyoctadecatrienoate (CHEBI:134055) is a polyunsaturated fatty acid anion (CHEBI:76567)
(9Z,11Z,13S,15Z)-12,13-epoxyoctadecatrienoate (CHEBI:134055) is conjugate base of (9Z,11Z,13S,15Z)-12,13-epoxyoctadecatrienoic acid (CHEBI:136633)
Incoming (9Z,11Z,13S,15Z)-12,13-epoxyoctadecatrienoic acid (CHEBI:136633) is conjugate acid of (9Z,11Z,13S,15Z)-12,13-epoxyoctadecatrienoate (CHEBI:134055)
IUPAC Name
(9Z,11Z)-11-{(3S)-3-[(2Z)-pent-2-en-1-yl]oxiran-2-ylidene}undec-9-enoate
Synonym Source
12,13-epoxy-(9Z,11E,15Z)-octadecatrienoate UniProt
Citation
Oldham ML, Brash AR, Newcomer ME (2005)
The structure of coral allene oxide synthase reveals a catalase adapted for metabolism of a fatty acid hydroperoxide.
Proceedings of the National Academy of Sciences of the United States of America 102, 297-302 (Source: SUBMITTER) [PubMed:15625113]
[show Abstract]
Last Modified
22 March 2017