CHEBI:34496 - 9(S)-HODE

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 9(S)-HODE
ChEBI ID CHEBI:34496
ChEBI ASCII Name 9(S)-HODE
Definition A 9-HODE in which the 9-hydroxy group has S-stereochemistry.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:68946
Supplier Information No supplier information found for this compound.
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Formula C18H32O3
Net Charge 0
Average Mass 296.451
Monoisotopic Mass 296.23514
InChI InChI=1S/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6-,14-11+/t17-/m1/s1
InChIKey NPDSHTNEKLQQIJ-UINYOVNOSA-N
SMILES CCCCC\C=C/C=C/[C@@H](O)CCCCCCCC(O)=O
Metabolite of Species Details
Carthamus oxyacantha (NCBI:txid122010) Found in aerial part (BTO:0001658). Crude ethanolic extract of aerial parts 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): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
(via 9-HODE )
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
(via 9-HODE )
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
(via 9-HODE )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 9(S)-HODE (CHEBI:34496) is a 9-HODE (CHEBI:72651)
9(S)-HODE (CHEBI:34496) is conjugate acid of 9(S)-HODE(1−) (CHEBI:77852)
9(S)-HODE (CHEBI:34496) is enantiomer of 9(R)-HODE (CHEBI:78730)
Incoming 9(S)-HODE(1−) (CHEBI:77852) is conjugate base of 9(S)-HODE (CHEBI:34496)
9(R)-HODE (CHEBI:78730) is enantiomer of 9(S)-HODE (CHEBI:34496)
IUPAC Name
(9S,10E,12Z)-9-hydroxyoctadeca-10,12-dienoic acid
Synonyms Sources
(10E,12Z)-(9S)-9-Hydroxyoctadeca-10,12-dienoic acid KEGG COMPOUND
(9S)-Hydroxyoctadecadienoic acid KEGG COMPOUND
(9S)-Hydroxyoctadecadinoiec acid KEGG COMPOUND
9(S)-HODE KEGG COMPOUND
9-hydroxy-trans-10,cis-12-octadecadienoic acid ChEBI
9S-HODE LIPID MAPS
9S-hydroxy-10E,12Z-octadecadienoic acid LIPID MAPS
[S-(E,Z)]-9-hydroxy-10,12-octadecadienoic acid HMDB
alpha-dimorphecolic HMDB
Manual Xrefs Databases
9HO PDBeChem
C14767 KEGG COMPOUND
HMDB0004670 HMDB
LMFA01050278 LIPID MAPS
View more database links
Registry Numbers Types Sources
1914445 Reaxys Registry Number Reaxys
73543-67-6 CAS Registry Number KEGG COMPOUND
Citations Types Sources
3151051 PubMed citation Europe PMC
37497988 PubMed citation Europe PMC
37576833 PubMed citation Europe PMC
37822955 PubMed citation Europe PMC
38608958 PubMed citation Europe PMC
Last Modified
21 October 2024
General Comment
2014-10-17 Suggested Classification: ISA:long-chain fatty acid(CHEBI:15904); ISA:hydroxy fatty acid(CHEBI:24654); ISA:unsaturated fatty acid(CHEBI:27208); ISA:secondary alcohol(CHEBI:35681); ISA:monocarboxylic acid(CHEBI:25384); ISA:organonitrogen compound(CHEBI:35352); ISA:carboxylic acid(CHEBI:33575); ISA:carbonyl compound(CHEBI:36586);