CHEBI:58757 - (9Z,11E,13S,15Z)-13-hydroperoxyoctadeca-9,11,15-trienoate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (9Z,11E,13S,15Z)-13-hydroperoxyoctadeca-9,11,15-trienoate
ChEBI ID CHEBI:58757
ChEBI ASCII Name (9Z,11E,13S,15Z)-13-hydroperoxyoctadeca-9,11,15-trienoate
Definition Conjugate base of (9Z,11E,13S,15Z)-13-hydroperoxyoctadeca-9,11,15-trienoic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C18H29O4
Net Charge -1
Average Mass 309.42050
Monoisotopic Mass 309.20713
InChI InChI=1S/C18H30O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h3,7,9,11-12,15,17,21H,2,4-6,8,10,13-14,16H2,1H3,(H,19,20)/p-1/b9-7-,11-3-,15-12+/t17-/m0/s1
InChIKey UYQGVDXDXBAABN-FQSPHKRJSA-M
SMILES CC\C=C/C[C@H](OO)\C=C\C=C/CCCCCCCC([O-])=O
ChEBI Ontology
Outgoing (9Z,11E,13S,15Z)-13-hydroperoxyoctadeca-9,11,15-trienoate (CHEBI:58757) is a hydroperoxyoctadecatrienoate (CHEBI:133558)
(9Z,11E,13S,15Z)-13-hydroperoxyoctadeca-9,11,15-trienoate (CHEBI:58757) is conjugate base of (9Z,11E,13S,15Z)-13-hydroperoxyoctadeca-9,11,15-trienoic acid (CHEBI:48905)
Incoming (9Z,11E,13S,15Z)-13-hydroperoxyoctadeca-9,11,15-trienoic acid (CHEBI:48905) is conjugate acid of (9Z,11E,13S,15Z)-13-hydroperoxyoctadeca-9,11,15-trienoate (CHEBI:58757)
IUPAC Name
(9Z,11E,13S,15Z)-13-hydroperoxyoctadeca-9,11,15-trienoate
Synonym Source
(13S)-hydroperoxy-(9Z,11E,15Z)-octadecatrienoate UniProt
Manual Xref Database
CPD-725 MetaCyc
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Last Modified
22 February 2023