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CHEBI:21949 - O-butanoyl-L-carnitine

Default Structure
ChEBI IDCHEBI:21949
ChEBI NameO-butanoyl-L-carnitine
Stars
ASCII NameO-butanoyl-L-carnitine
DefinitionAn optically active form of O-butanoylcarnitine having L-configuration.
Last Modified17 April 2015
DownloadsMolfile
FormulaC11H21NO4
Net Charge0
Average Mass231.292
Monoisotopic Mass231.14706
SMILESCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C
InChIInChI=1S/C11H21NO4/c1-5-6-11(15)16-9(7-10(13)14)8-12(2,3)4/h9H,5-8H2,1-4H3/t9-/m1/s1
InChIKeyQWYFHHGCZUCMBN-SECBINFHSA-N
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
O-butanoyl-L-carnitine (CHEBI:21949) has role metabolite (CHEBI:25212)
O-butanoyl-L-carnitine (CHEBI:21949) is a O-butanoylcarnitine (CHEBI:7676)
O-butanoyl-L-carnitine (CHEBI:21949) is a saturated fatty acyl-L-carnitine (CHEBI:133445)
O-butanoyl-L-carnitine (CHEBI:21949) is a short-chain fatty acyl-L-carnitine (CHEBI:229629)
Incoming Relation(s)
butyryl-L-carnitine-d3 (CHEBI:192092) is a O-butanoyl-L-carnitine (CHEBI:21949)
IUPAC Name 
(3R)-3-(butyryloxy)-4-(trimethylazaniumyl)butanoate
Synonyms  Source
(3R)-3-(butyryloxy)-4-(trimethylammonio)butanoateIUPAC
ButyrylcarnitineChemIDplus
Butyryl-L-carnitineChemIDplus
L-Carnitine butyryl esterChemIDplus
n-Butyryl-L-(-)-carnitinChemIDplus
UniProt Name  Source
O-butanoyl-(R)-carnitineUniProt
Manual XrefsDatabases
HMDB0002013HMDB
LMFA07070003LIPID MAPS
Registry NumbersSources
Reaxys:4138519Reaxys
CAS:25576-40-3ChemIDplus