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

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ChEBI Name (9Z,11E,13S,14Z)-13-hydroperoxyoctadecatrienoic acid
ChEBI ID CHEBI:136803
ChEBI ASCII Name (9Z,11E,13S,14Z)-13-hydroperoxyoctadecatrienoic acid
Definition A hydroperoxyoctadecatrienoic acid that is (9Z,11E,14Z)-octadecatrienoic acid in which the hydroperoxy group is located at position 13S.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C18H30O4
Net Charge 0
Average Mass 310.429
Monoisotopic Mass 310.21441
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)/b9-7-,14-11-,15-12+/t17-/m0/s1
InChIKey UKAYSZOBJMGOTG-NVZNDERGSA-N
SMILES C(CC(=O)O)CCCCC/C=C\C=C\[C@H](/C=C\CCC)OO
Metabolite of Species Details
Brassica napus (NCBI:txid3708) See: MetaboLights Study
Brassica napus (NCBI:txid3708) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): Brassica napus metabolite
Any plant metabolite that is produced by rapeseed (Brassica napus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (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 (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 Sources
(13S)-13-hydroperoxy-(9Z,11E,14Z)-octadecatrienoic acid ChEBI
13S-HpOTrE LIPID MAPS
13S-hydroperoxy-9Z,11E,14Z-octadecatrienoic acid LIPID MAPS
Manual Xref Database
LMFA02000114 LIPID MAPS
View more database links
Last Modified
13 April 2018