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CHEBI:91318 - (R)-oleoylcarnitine hydrochloride

ChEBI IDCHEBI:91318
ChEBI Name(R)-oleoylcarnitine hydrochloride
Stars
ASCII Name(R)-oleoylcarnitine hydrochloride
DefinitionA quaternary ammonium salt obtained by combining (R)-oleoylcarnitine with one molar equivalent of hydrogen chloride.
Last Modified24 February 2016
SubmitterSteve
DownloadsMolfile
FormulaC25H48NO4.Cl
Net Charge0
Average Mass462.115
Monoisotopic Mass461.32719
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C.[Cl-]
InChIInChI=1S/C25H47NO4.ClH/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;1H/b13-12-;/t23-;/m1./s1
InChIKeyJPDKUMDAMZLOJR-KFQPROOXSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
- PubMed (25502724)
- MetaboLights (MTBLS90)
- MetaboLights (MTBLS124)
- MetaboLights (MTBLS93)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
(R)-oleoylcarnitine hydrochloride (CHEBI:91318) has role human metabolite (CHEBI:77746)
(R)-oleoylcarnitine hydrochloride (CHEBI:91318) is a organic chloride salt (CHEBI:36094)
(R)-oleoylcarnitine hydrochloride (CHEBI:91318) is a quaternary ammonium salt (CHEBI:35273)
IUPAC Names 
(3R)-3-{[(9Z)-octadec-9-enoyl]oxy}-4-(trimethylazaniumyl)butanoate hydrochloride
(2R)-3-carboxy-N,N,N-trimethyl-2-{[(9Z)-octadec-9-enoyl]oxy}propan-1-aminium chloride
Synonym  Source
oleoyl-L-carnitine hydrochlorideChEBI