CHEBI:34498 - 9(S)-HPODE

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 9(S)-HPODE
ChEBI ID CHEBI:34498
ChEBI ASCII Name 9(S)-HPODE
Definition An HPODE (hydroperoxy-octadecadienoic acid) in which the double bonds are at positions 10 and 12 (E and Z geometry, respectively) and the hydroperoxy group is at position 9 (S configuration). It is an intermediate in the metabolic pathway for linoleic acid.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C18H32O4
Net Charge 0
Average Mass 312.44430
Monoisotopic Mass 312.23006
InChI InChI=1S/C18H32O4/c1-2-3-4-5-6-8-11-14-17(22-21)15-12-9-7-10-13-16-18(19)20/h6,8,11,14,17,21H,2-5,7,9-10,12-13,15-16H2,1H3,(H,19,20)/b8-6-,14-11+/t17-/m1/s1
InChIKey JGUNZIWGNMQSBM-UINYOVNOSA-N
SMILES CCCCC\C=C/C=C/[C@H](CCCCCCCC(O)=O)OO
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 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): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 9(S)-HPODE (CHEBI:34498) has functional parent (10E,12Z)-octadecadienoic acid (CHEBI:44526)
9(S)-HPODE (CHEBI:34498) has role human metabolite (CHEBI:77746)
9(S)-HPODE (CHEBI:34498) has role mouse metabolite (CHEBI:75771)
9(S)-HPODE (CHEBI:34498) has role plant metabolite (CHEBI:76924)
9(S)-HPODE (CHEBI:34498) is a HPODE (CHEBI:36329)
9(S)-HPODE (CHEBI:34498) is conjugate acid of 9(S)-HPODE(1−) (CHEBI:60955)
9(S)-HPODE (CHEBI:34498) is enantiomer of 9(R)-HPODE (CHEBI:63331)
Incoming 9(S)-HPODE(1−) (CHEBI:60955) is conjugate base of 9(S)-HPODE (CHEBI:34498)
9(R)-HPODE (CHEBI:63331) is enantiomer of 9(S)-HPODE (CHEBI:34498)
IUPAC Name
(9S,10E,12Z)-9-hydroperoxyoctadeca-10,12-dienoic acid
Synonyms Sources
(10E,12Z)-(9S)-9-Hydroperoxyoctadeca-10,12-dienoic acid KEGG COMPOUND
(9S,10E,12Z)-9-hydroperoxy-10,12-octadecadienoic acid ChEBI
9(S)-HPOD KEGG COMPOUND
9(S)-HpODE LIPID MAPS
9(S)-HPODE KEGG COMPOUND
Manual Xrefs Databases
C00000393 KNApSAcK
C14827 KEGG COMPOUND
LMFA02000012 LIPID MAPS
View more database links
Registry Numbers Types Sources
29774-12-7 CAS Registry Number KEGG COMPOUND
4192711 Reaxys Registry Number Reaxys
Citations
Last Modified
27 January 2016