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CHEBI:34498 - 9(S)-HPODE

ChEBI IDCHEBI:34498
ChEBI Name9(S)-HPODE
Stars
ASCII Name9(S)-HPODE
DefinitionAn 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.
Last Modified27 January 2016
DownloadsMolfile
FormulaC18H32O4
Net Charge0
Average Mass312.450
Monoisotopic Mass312.23006
SMILESCCCCC/C=C\C=C\[C@H](CCCCCCCC(=O)O)OO
InChIInChI=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
InChIKeyJGUNZIWGNMQSBM-UINYOVNOSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
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).
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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  Source
9(S)-HPODEKEGG COMPOUND
9(S)-HPODKEGG COMPOUND
(10E,12Z)-(9S)-9-Hydroperoxyoctadeca-10,12-dienoic acidKEGG COMPOUND
(9S,10E,12Z)-9-hydroperoxy-10,12-octadecadienoic acidChEBI
9(S)-HpODELIPID MAPS
Manual XrefsDatabases
C14827KEGG COMPOUND
LMFA02000012LIPID MAPS
C00000393KNApSAcK
Registry NumbersSources
Reaxys:4192711Reaxys
CAS:29774-12-7KEGG COMPOUND
Citations