CHEBI:57466 - 13(S)-HPODE(1−)

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ChEBI Name 13(S)-HPODE(1−)
ChEBI ID CHEBI:57466
ChEBI ASCII Name 13(S)-HPODE(1-)
Definition Conjugate base of 13(S)-HPODE arising from deprotonation of the carboxylic acid function.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C18H31O4
Net Charge -1
Average Mass 311.43690
Monoisotopic Mass 311.22278
InChI InChI=1S/C18H32O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h7,9,12,15,17,21H,2-6,8,10-11,13-14,16H2,1H3,(H,19,20)/p-1/b9-7-,15-12+/t17-/m0/s1
InChIKey JDSRHVWSAMTSSN-IRQZEAMPSA-M
SMILES CCCCC[C@H](OO)\C=C\C=C/CCCCCCCC([O-])=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: DOI
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
(via 13-HPODE(1-) )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 13(S)-HPODE(1−) (CHEBI:57466) has role human metabolite (CHEBI:77746)
13(S)-HPODE(1−) (CHEBI:57466) is a 13-HPODE(1−) (CHEBI:90823)
13(S)-HPODE(1−) (CHEBI:57466) is conjugate base of 13(S)-HPODE (CHEBI:15655)
13(S)-HPODE(1−) (CHEBI:57466) is enantiomer of 13(R)-HPODE(1−) (CHEBI:133985)
Incoming 13(S)-HPODE (CHEBI:15655) is conjugate acid of 13(S)-HPODE(1−) (CHEBI:57466)
13(R)-HPODE(1−) (CHEBI:133985) is enantiomer of 13(S)-HPODE(1−) (CHEBI:57466)
IUPAC Name
(9Z,11E,13S)-13-hydroperoxyoctadeca-9,11-dienoate
Synonyms Sources
(13S)-hydroperoxy-(9Z,11E)-octadecadienoate UniProt
13(S)-HPODE anion ChEBI
Registry Number Type Source
10594821 Beilstein Registry Number Beilstein
Last Modified
10 March 2017