CHEBI:15655 - 13(S)-HPODE

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 13(S)-HPODE
ChEBI ID CHEBI:15655
ChEBI ASCII Name 13(S)-HPODE
Definition The (S)-enantiomer of 13-HPODE
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:18619, CHEBI:39536, CHEBI:264, CHEBI:10941, CHEBI:18620
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C18H32O4
Net Charge 0
Average Mass 312.44430
Monoisotopic Mass 312.23006
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)/b9-7-,15-12+/t17-/m0/s1
InChIKey JDSRHVWSAMTSSN-IRQZEAMPSA-N
SMILES CCCCC[C@H](OO)\C=C\C=C/CCCCCCCC(O)=O
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): 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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 Sources
(9Z,11E)-(13S)-13-Hydroperoxyoctadeca-9,11-dienoate KEGG COMPOUND
(9Z,11E)-(13S)-13-Hydroperoxyoctadeca-9,11-dienoate KEGG COMPOUND
(9Z,11E)-(13S)-13-Hydroperoxyoctadeca-9,11-dienoic acid KEGG COMPOUND
13(S)-HPODE KEGG COMPOUND
13S-Hydroperoxy-9Z,11E-octadecadienoic acid KEGG COMPOUND
Manual Xrefs Databases
C00000394 KNApSAcK
C04717 KEGG COMPOUND
HMDB0003871 HMDB
LMFA02000034 LIPID MAPS
View more database links
Registry Numbers Types Sources
33964-75-9 CAS Registry Number KEGG COMPOUND
3592723 Reaxys Registry Number Reaxys
Last Modified
10 January 2019