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CHEBI:136372 - O-[(11E)-octadecenoyl]-D-carnitine

ChEBI IDCHEBI:136372
ChEBI NameO-[(11E)-octadecenoyl]-D-carnitine
Stars
ASCII NameO-[(11E)-octadecenoyl]-D-carnitine
DefinitionAn O-acyl-D-carnitine in which the acyl group is specified as (11E)-octadecenoyl.
Last Modified18 January 2018
Submittermwilliams
DownloadsMolfile
FormulaC25H47NO4
Net Charge0
Average Mass425.654
Monoisotopic Mass425.35051
SMILESCCCCCC/C=C/CCCCCCCCCC(=O)O[C@@H](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/h10-11,23H,5-9,12-22H2,1-4H3/b11-10+/t23-/m0/s1
InChIKeyHOAMADDCQBUDDY-YSESTWPTSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
- PubMed (27635669)
- MetaboLights (MTBLS364)
Roles Classification
Biological Roles:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
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)
O-[(11E)-octadecenoyl]-D-carnitine (CHEBI:136372) has functional parent trans-vaccenic acid (CHEBI:28727)
O-[(11E)-octadecenoyl]-D-carnitine (CHEBI:136372) has role human xenobiotic metabolite (CHEBI:76967)
O-[(11E)-octadecenoyl]-D-carnitine (CHEBI:136372) is a O-acyl-D-carnitine (CHEBI:86043)
O-[(11E)-octadecenoyl]-D-carnitine (CHEBI:136372) is a O-octadecenoylcarnitine (CHEBI:86475)
IUPAC Name 
(3S)-3-{[(11E)-octadec-11-enoyl]oxy}-4-(trimethylazaniumyl)butanoate
Synonyms  Source
O-[(E)-vaccenoyl]-D-carnitineChEBI
O-(trans-vaccenoyl)-D-carnitineChEBI
Manual XrefsDatabases
30776574ChemSpider
HMDB0006351HMDB