EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:144034 - (9Z,11E,15Z)-13-hydroperoxyoctadecatrienoate

ChEBI IDCHEBI:144034
ChEBI Name(9Z,11E,15Z)-13-hydroperoxyoctadecatrienoate
Stars
ASCII Name(9Z,11E,15Z)-13-hydroperoxyoctadecatrienoate
DefinitionA hydroperoxyoctadecatrienoate that is the conjugate base of (9Z,11E,15Z)-13-hydroperoxyoctadecatrienoic acid, obtained by deprotonation of the carboxy group. Major microspecies at pH 7.3.
Last Modified5 November 2019
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC18H29O4
Net Charge-1
Average Mass309.426
Monoisotopic Mass309.20713
SMILESCC/C=C\CC(/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+
InChIKeyUYQGVDXDXBAABN-JDTPQGGVSA-M
ChEBI Ontology
Outgoing Relation(s)
(9Z,11E,15Z)-13-hydroperoxyoctadecatrienoate (CHEBI:144034) is a hydroperoxyoctadecatrienoate (CHEBI:133558)
(9Z,11E,15Z)-13-hydroperoxyoctadecatrienoate (CHEBI:144034) is conjugate base of (9Z,11E,15Z)-13-hydroperoxyoctadecatrienoic acid (CHEBI:145300)
Incoming Relation(s)
(9Z,11E,15Z)-13-hydroperoxyoctadecatrienoic acid (CHEBI:145300) is conjugate acid of (9Z,11E,15Z)-13-hydroperoxyoctadecatrienoate (CHEBI:144034)
IUPAC Name 
(9Z,11E,15Z)-13-hydroperoxyoctadeca-9,11,15-trienoate
UniProt Name  Source
13-hydroperoxy-(9Z,11E,15Z)-octadecatrienoateUniProt
Citations