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

ChEBI IDCHEBI:58757
ChEBI Name(9Z,11E,13S,15Z)-13-hydroperoxyoctadeca-9,11,15-trienoate
Stars
ASCII Name(9Z,11E,13S,15Z)-13-hydroperoxyoctadeca-9,11,15-trienoate
DefinitionConjugate base of (9Z,11E,13S,15Z)-13-hydroperoxyoctadeca-9,11,15-trienoic acid.
Last Modified22 February 2023
DownloadsMolfile
FormulaC18H29O4
Net Charge-1
Average Mass309.426
Monoisotopic Mass309.20713
SMILESCC/C=C\C[C@@H](/C=C/C=C\CCCCCCCC(=O)[O-])OO
InChIInChI=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
InChIKeyUYQGVDXDXBAABN-FQSPHKRJSA-M
ChEBI Ontology
Outgoing Relation(s)
(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 Relation(s)
(9Z,11E,3'Z)-12-(1'-hydroxy-3'-hexenyloxy)-9,11-dodecadienoate(1−) (CHEBI:233514) has functional parent (9Z,11E,13S,15Z)-13-hydroperoxyoctadeca-9,11,15-trienoate (CHEBI:58757)
(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
UniProt Name  Source
(13S)-hydroperoxy-(9Z,11E,15Z)-octadecatrienoateUniProt
Manual XrefsDatabases
CPD-725MetaCyc