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CHEBI:86038 - (9E)-octadec-9-enoylcarnitine

ChEBI IDCHEBI:86038
ChEBI Name(9E)-octadec-9-enoylcarnitine
Stars
ASCII Name(9E)-octadec-9-enoylcarnitine
DefinitionAn O-octadecenoylcarnitine in which the acyl group is specified as (9E)-octadec-9-enoyl.
Last Modified22 January 2016
Submitternamrata
DownloadsMolfile
FormulaC25H47NO4
Net Charge0
Average Mass425.654
Monoisotopic Mass425.35051
SMILESCCCCCCCC/C=C/CCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C
InChIInChI=1S/C25H47NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-23(21-24(27)28)22-26(2,3)4/h12-13,23H,5-11,14-22H2,1-4H3/b13-12+
InChIKeyIPOLTUVFXFHAHI-OUKQBFOZSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - MetaboLights (MTBLS175)
Roles Classification
Biological Role:
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)
(9E)-octadec-9-enoylcarnitine (CHEBI:86038) has functional parent elaidic acid (CHEBI:27997)
(9E)-octadec-9-enoylcarnitine (CHEBI:86038) is a O-octadecenoylcarnitine (CHEBI:86475)
IUPAC Name 
3-{[(9E)-octadec-9-enoyl]oxy}-4-(trimethylazaniumyl)butanoate
Synonym  Source
elaidic carnitineHMDB
Manual XrefsDatabases
HMDB0006464HMDB