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CHEBI:84838 - O-isobutyryl-L-carnitine

ChEBI IDCHEBI:84838
ChEBI NameO-isobutyryl-L-carnitine
Stars
ASCII NameO-isobutyryl-L-carnitine
DefinitionAn optically active form of O-isobutyrylcarnitine having (R)-configuration.
Last Modified8 February 2017
Submitternhn
DownloadsMolfile
FormulaC11H21NO4
Net Charge0
Average Mass231.292
Monoisotopic Mass231.14706
SMILESCC(C)C(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C
InChIInChI=1S/C11H21NO4/c1-8(2)11(15)16-9(6-10(13)14)7-12(3,4)5/h8-9H,6-7H2,1-5H3/t9-/m1/s1
InChIKeyLRCNOZRCYBNMEP-SECBINFHSA-N
Roles Classification
Biological Roles:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
O-isobutyryl-L-carnitine (CHEBI:84838) has role human metabolite (CHEBI:77746)
O-isobutyryl-L-carnitine (CHEBI:84838) is a O-isobutyrylcarnitine (CHEBI:73017)
O-isobutyryl-L-carnitine (CHEBI:84838) is a methyl-branched fatty acyl-L-carnitine (CHEBI:133447)
O-isobutyryl-L-carnitine (CHEBI:84838) is a saturated fatty acyl-L-carnitine (CHEBI:133445)
O-isobutyryl-L-carnitine (CHEBI:84838) is a short-chain fatty acyl-L-carnitine (CHEBI:229629)
IUPAC Name 
(3R)-3-[(2-methylpropanoyl)oxy]-4-(trimethylazaniumyl)butanoate
Synonyms  Source
Isobutyryl-L-carnitineHMDB
Isobutyryl-L-(-)-carnitineHMDB
Iso-butyryl-L(-)-carnitinChemIDplus
Isobutyryl-carnitineChemIDplus
(R)-isobutyrylcarnitineChEBI
UniProt Name  Source
O-isobutanoyl-(R)-carnitineUniProt
Manual XrefsDatabases
HMDB0000736HMDB
Registry NumbersSources
Reaxys:4138517Reaxys
CAS:25518-49-4ChemIDplus
Citations