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CHEBI:84644 - O-octadecanoyl-L-carnitine

ChEBI IDCHEBI:84644
ChEBI NameO-octadecanoyl-L-carnitine
Stars
ASCII NameO-octadecanoyl-L-carnitine
DefinitionAn O-acyl-L-carnitine in which the acyl group is specified as stearoyl (octadecanoyl).
Last Modified8 February 2017
Submitternhn
DownloadsMolfile
FormulaC25H49NO4
Net Charge0
Average Mass427.670
Monoisotopic Mass427.36616
SMILESCCCCCCCCCCCCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C
InChIInChI=1S/C25H49NO4/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/h23H,5-22H2,1-4H3/t23-/m1/s1
InChIKeyFNPHNLNTJNMAEE-HSZRJFAPSA-N
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
O-octadecanoyl-L-carnitine (CHEBI:84644) has functional parent octadecanoic acid (CHEBI:28842)
O-octadecanoyl-L-carnitine (CHEBI:84644) has role human metabolite (CHEBI:77746)
O-octadecanoyl-L-carnitine (CHEBI:84644) is a long-chain fatty acyl-L-carnitine (CHEBI:229627)
O-octadecanoyl-L-carnitine (CHEBI:84644) is a saturated fatty acyl-L-carnitine (CHEBI:133445)
IUPAC Name 
(3R)-3-(octadecanoyloxy)-4-(trimethylazaniumyl)butanoate
Synonyms  Source
Acylcarnitine C18:0HMDB
O-stearoyl-L-carnitineChEBI
(R)-octadecanoylcarnitineChEBI
(R)-stearoylcarnitineChEBI
L-StearoylcarnitineHMDB
OctadecanoylcarnitineHMDB
UniProt Name  Source
O-octadecanoyl-(R)-carnitineUniProt
Manual XrefsDatabases
HMDB0000848HMDB
LMFA07070008LIPID MAPS
Registry NumbersSources
Reaxys:7309670Reaxys
CAS:1976-27-8HMDB
Citations