EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:34154 - 13(S)-HODE

ChEBI IDCHEBI:34154
ChEBI Name13(S)-HODE
Stars
ASCII Name13(S)-HODE
DefinitionAn HODE (hydroxyoctadecadienoic acid) in which the double bonds are at positions 9 and 11 (E and Z geometry, respectively) and the hydroxy group is at position 13 (with S-configuration).
Last Modified22 February 2016
DownloadsMolfile
FormulaC18H32O3
Net Charge0
Average Mass296.451
Monoisotopic Mass296.23514
SMILESCCCCC[C@H](O)/C=C/C=C\CCCCCCCC(=O)O
InChIInChI=1S/C18H32O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9,12,15,17,19H,2-6,8,10-11,13-14,16H2,1H3,(H,20,21)/b9-7-,15-12+/t17-/m0/s1
InChIKeyHNICUWMFWZBIFP-IRQZEAMPSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090)
- MetaboLights (MTBLS143)
- 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:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
13(S)-HODE (CHEBI:34154) has role antineoplastic agent (CHEBI:35610)
13(S)-HODE (CHEBI:34154) has role human xenobiotic metabolite (CHEBI:76967)
13(S)-HODE (CHEBI:34154) has role mouse metabolite (CHEBI:75771)
13(S)-HODE (CHEBI:34154) is a HODE (CHEBI:36328)
13(S)-HODE (CHEBI:34154) is conjugate acid of 13(S)-HODE(1−) (CHEBI:90850)
Incoming Relation(s)
13(S)-HODE(1−) (CHEBI:90850) is conjugate base of 13(S)-HODE (CHEBI:34154)
IUPAC Name 
(9Z,11E,13S)-13-hydroxyoctadeca-9,11-dienoic acid
Synonyms  Source
13(S)-HODEKEGG COMPOUND
(13S)-Hydroxyoctadecadienoic acidKEGG COMPOUND
(9Z, 11E)-(13S)-13-Hydroxyoctadeca-9,11-dienoic acidKEGG COMPOUND
(9Z,11E)-(13S)-13-Hydroxyoctadeca-9,11-dienoic acidKEGG COMPOUND
Manual XrefsDatabases
C14762KEGG COMPOUND
LMFA02000228LIPID MAPS
C00000403KNApSAcK
243PDBeChem
Registry NumbersSources
Reaxys:3549663Reaxys
CAS:29623-28-7ChemIDplus
Citations