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CHEBI:136803 - (9Z,11E,13S,14Z)-13-hydroperoxyoctadecatrienoic acid

ChEBI IDCHEBI:136803
ChEBI Name(9Z,11E,13S,14Z)-13-hydroperoxyoctadecatrienoic acid
Stars
ASCII Name(9Z,11E,13S,14Z)-13-hydroperoxyoctadecatrienoic acid
DefinitionA hydroperoxyoctadecatrienoic acid that is (9Z,11E,14Z)-octadecatrienoic acid in which the hydroperoxy group is located at position 13S.
Last Modified13 April 2018
Submittermwilliams
DownloadsMolfile
FormulaC18H30O4
Net Charge0
Average Mass310.434
Monoisotopic Mass310.21441
SMILESCCC/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/h7,9,11-12,14-15,17,21H,2-6,8,10,13,16H2,1H3,(H,19,20)/b9-7-,14-11-,15-12+/t17-/m0/s1
InChIKeyUKAYSZOBJMGOTG-NVZNDERGSA-N
Species of MetaboliteComponentSourceComments
Brassica napus (ncbitaxon:3708)
- PubMed (27500669)
- MetaboLights (MTBLS312)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
Brassica napus metabolite  Any plant metabolite that is produced by rapeseed (Brassica napus).
ChEBI Ontology
Outgoing Relation(s)
(9Z,11E,13S,14Z)-13-hydroperoxyoctadecatrienoic acid (CHEBI:136803) has functional parent (9Z,11E,14Z)-octadeca-9,11,14-trienoic acid (CHEBI:38389)
(9Z,11E,13S,14Z)-13-hydroperoxyoctadecatrienoic acid (CHEBI:136803) has role Brassica napus metabolite (CHEBI:140165)
(9Z,11E,13S,14Z)-13-hydroperoxyoctadecatrienoic acid (CHEBI:136803) is a hydroperoxyoctadecatrienoic acid (CHEBI:134615)
(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)
Incoming Relation(s)
(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)
IUPAC Name 
(9Z,11E,13S,14Z)-13-hydroperoxyoctadeca-9,11,14-trienoic acid
Synonyms  Source
(13S)-13-hydroperoxy-(9Z,11E,14Z)-octadecatrienoic acidChEBI
13S-HpOTrELIPID MAPS
13S-hydroperoxy-9Z,11E,14Z-octadecatrienoic acidLIPID MAPS
Manual XrefsDatabases
LMFA02000114LIPID MAPS