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CHEBI:34499 - 9,10,13-TriHOME

ChEBI IDCHEBI:34499
ChEBI Name9,10,13-TriHOME
Stars
DefinitionA TriHOME that is (11E)-octadec-11-enoic acid in which the three hydroxy substituents are located at positions 9, 10 and 13.
Last Modified8 June 2016
DownloadsMolfile
FormulaC18H34O5
Net Charge0
Average Mass330.465
Monoisotopic Mass330.24062
SMILESCCCCCC(O)/C=C/C(O)C(O)CCCCCCCC(=O)O
InChIInChI=1S/C18H34O5/c1-2-3-7-10-15(19)13-14-17(21)16(20)11-8-5-4-6-9-12-18(22)23/h13-17,19-21H,2-12H2,1H3,(H,22,23)/b14-13+
InChIKeyNTVFQBIHLSPEGQ-BUHFOSPRSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood (UBERON:0000178) PubMed (21359215)
Mus musculus (ncbitaxon:10090) - MetaboLights (MTBLS243)
Roles Classification
Chemical Roles:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
human blood serum metabolite  Any metabolite (endogenous or exogenous) found in human blood serum samples.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
9,10,13-TriHOME (CHEBI:34499) has role human blood serum metabolite (CHEBI:85234)
9,10,13-TriHOME (CHEBI:34499) is a long-chain fatty acid (CHEBI:15904)
9,10,13-TriHOME (CHEBI:34499) is a monounsaturated fatty acid (CHEBI:25413)
9,10,13-TriHOME (CHEBI:34499) is a straight-chain fatty acid (CHEBI:59202)
9,10,13-TriHOME (CHEBI:34499) is a TriHOME (CHEBI:73765)
IUPAC Name 
(11E)-9,10,13-trihydroxyoctadec-11-enoic acid
Synonyms  Source
9,10,13-TriHOMEKEGG COMPOUND
9,10,13-Trihydroxyoctadec-11-enoic acidKEGG COMPOUND
(E)-9,10,13-Trihydroxy-11-octadecenoic acidChemIDplus
9,10,13-trihydroxy-11-octadecenoic acidLIPID MAPS
(11E)-9,10,13-trihydroxyoctadecenoic acidChEBI
Manual XrefsDatabases
C14835KEGG COMPOUND
LMFA02000168LIPID MAPS
Registry NumbersSources
Reaxys:2282736Reaxys
CAS:29907-57-1KEGG COMPOUND
CAS:29907-57-1ChemIDplus
Citations