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 ChemicalBook:CB2409023, eMolecules:17665709, eMolecules:29913747, eMolecules:35779400, eMolecules:36749934, eMolecules:1937450, eMolecules:24639358
Download Molfile XML SDF
more structures >>
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
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);