CHEBI:36435 - (9Z,11E,13S,14Z)-13-hydroperoxyoctadeca-9,11,14-trienoate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (9Z,11E,13S,14Z)-13-hydroperoxyoctadeca-9,11,14-trienoate
ChEBI ID CHEBI:36435
ChEBI ASCII Name (9Z,11E,13S,14Z)-13-hydroperoxyoctadeca-9,11,14-trienoate
Definition The conjugate base of (9Z,11E,13S,14Z)-13-hydroperoxyoctadeca-9,11,14-trienic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:10942, CHEBI:18621
Supplier Information
Download Molfile XML SDF
Formula C18H29O4
Net Charge -1
Average Mass 309.42046
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/h7,9,11-12,14-15,17,21H,2-6,8,10,13,16H2,1H3,(H,19,20)/p-1/b9-7-,14-11-,15-12+/t17-/m0/s1
InChIKey UKAYSZOBJMGOTG-NVZNDERGSA-M
SMILES CCC\C=C/[C@H](OO)\C=C\C=C/CCCCCCCC([O-])=O
ChEBI Ontology
Outgoing (9Z,11E,13S,14Z)-13-hydroperoxyoctadeca-9,11,14-trienoate (CHEBI:36435) has functional parent (9Z,11E,14Z)-octadeca-9,11,14-trienoate (CHEBI:38392)
(9Z,11E,13S,14Z)-13-hydroperoxyoctadeca-9,11,14-trienoate (CHEBI:36435) is a monocarboxylic acid anion (CHEBI:35757)
(9Z,11E,13S,14Z)-13-hydroperoxyoctadeca-9,11,14-trienoate (CHEBI:36435) is conjugate base of (9Z,11E,13S,14Z)-13-hydroperoxyoctadecatrienoic acid (CHEBI:136803)
Incoming (9Z,11E,13S,14Z)-13-hydroperoxyoctadecatrienoic acid (CHEBI:136803) is conjugate acid of (9Z,11E,13S,14Z)-13-hydroperoxyoctadeca-9,11,14-trienoate (CHEBI:36435)
IUPAC Name
(9Z,11E,13S,14Z)-13-hydroperoxyoctadeca-9,11,14-trienoate
Synonym Source
(9Z,11E,14Z)-(13S)-Hydroperoxyoctadeca-(9,11,14)-trienoate KEGG COMPOUND
Last Modified
11 April 2017