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CHEBI:15655 - 13(S)-HPODE

ChEBI IDCHEBI:15655
ChEBI Name13(S)-HPODE
Stars
ASCII Name13(S)-HPODE
DefinitionThe (S)-enantiomer of 13-HPODE
Secondary ChEBI IDsCHEBI:264, CHEBI:10941, CHEBI:18619, CHEBI:18620, CHEBI:39536
Last Modified10 January 2019
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC18H32O4
Net Charge0
Average Mass312.450
Monoisotopic Mass312.23006
SMILESCCCCC[C@@H](/C=C/C=C\CCCCCCCC(=O)O)OO
InChIInChI=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)/b9-7-,15-12+/t17-/m0/s1
InChIKeyJDSRHVWSAMTSSN-IRQZEAMPSA-N
Roles Classification
Chemical Roles:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
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.
ChEBI Ontology
Outgoing Relation(s)
13(S)-HPODE (CHEBI:15655) has functional parent octadeca-9,11-dienoic acid (CHEBI:36025)
13(S)-HPODE (CHEBI:15655) has role human metabolite (CHEBI:77746)
13(S)-HPODE (CHEBI:15655) is a 13-HPODE (CHEBI:91272)
13(S)-HPODE (CHEBI:15655) is conjugate acid of 13(S)-HPODE(1−) (CHEBI:57466)
13(S)-HPODE (CHEBI:15655) is enantiomer of (13R)-HPODE (CHEBI:39573)
Incoming Relation(s)
13(S)-HPODE methyl ester (CHEBI:78040) has functional parent 13(S)-HPODE (CHEBI:15655)
pinellic acid (CHEBI:34506) has functional parent 13(S)-HPODE (CHEBI:15655)
13(S)-HPODE(1−) (CHEBI:57466) is conjugate base of 13(S)-HPODE (CHEBI:15655)
(13R)-HPODE (CHEBI:39573) is enantiomer of 13(S)-HPODE (CHEBI:15655)
IUPAC Name 
(9Z,11E,13S)-13-hydroperoxyoctadeca-9,11-dienoic acid
Synonyms  Source
(9Z,11E)-(13S)-13-Hydroperoxyoctadeca-9,11-dienoateKEGG COMPOUND
(9Z,11E)-(13S)-13-Hydroperoxyoctadeca-9,11-dienoic acidKEGG COMPOUND
13(S)-HPODEKEGG COMPOUND
13S-Hydroperoxy-9Z,11E-octadecadienoic acidKEGG COMPOUND
(9Z,11E)-(13S)-13-Hydroperoxyoctadeca-9,11-dienoateKEGG COMPOUND
Manual XrefsDatabases
C04717KEGG COMPOUND
LMFA02000034LIPID MAPS
HMDB0003871HMDB
C00000394KNApSAcK
Registry NumbersSources
Reaxys:3592723Reaxys
CAS:33964-75-9KEGG COMPOUND