CHEBI:34499 - 9,10,13-TriHOME

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 9,10,13-TriHOME
ChEBI ID CHEBI:34499
Definition A TriHOME that is (11E)-octadec-11-enoic acid in which the three hydroxy substituents are located at positions 9, 10 and 13.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C18H34O5
Net Charge 0
Average Mass 330.460
Monoisotopic Mass 330.24062
InChI InChI=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+
InChIKey NTVFQBIHLSPEGQ-BUHFOSPRSA-N
SMILES C(C(CCCCCCCC(O)=O)O)(/C=C/C(CCCCC)O)O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in blood (UBERON:0000178). 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): 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.
(via TriHOME )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
(11E)-9,10,13-trihydroxyoctadecenoic acid ChEBI
(E)-9,10,13-Trihydroxy-11-octadecenoic acid ChemIDplus
9,10,13-TriHOME KEGG COMPOUND
9,10,13-trihydroxy-11-octadecenoic acid LIPID MAPS
9,10,13-Trihydroxyoctadec-11-enoic acid KEGG COMPOUND
Manual Xrefs Databases
C14835 KEGG COMPOUND
LMFA02000168 LIPID MAPS
View more database links
Registry Numbers Types Sources
2282736 Reaxys Registry Number Reaxys
29907-57-1 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
21359215 PubMed citation Europe PMC
Last Modified
08 June 2016