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CHEBI:85095 - O-valeroyl-L-carnitine

ChEBI IDCHEBI:85095
ChEBI NameO-valeroyl-L-carnitine
Stars
ASCII NameO-valeroyl-L-carnitine
DefinitionAn O-acyl-L-carnitine in which the acyl group specified is valeroyl.
Last Modified8 February 2017
Submitternamrata
DownloadsMolfile
FormulaC12H23NO4
Net Charge0
Average Mass245.319
Monoisotopic Mass245.16271
SMILESCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C
InChIInChI=1S/C12H23NO4/c1-5-6-7-12(16)17-10(8-11(14)15)9-13(2,3)4/h10H,5-9H2,1-4H3/t10-/m1/s1
InChIKeyVSNFQQXVMPSASB-SNVBAGLBSA-N
Roles Classification
Biological Role:
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-valeroyl-L-carnitine (CHEBI:85095) is a O-valeroylcarnitine (CHEBI:86050)
O-valeroyl-L-carnitine (CHEBI:85095) is a saturated fatty acyl-L-carnitine (CHEBI:133445)
O-valeroyl-L-carnitine (CHEBI:85095) is a short-chain fatty acyl-L-carnitine (CHEBI:229629)
Incoming Relation(s)
valeryl-L-carnitine-d9 (CHEBI:192100) is a O-valeroyl-L-carnitine (CHEBI:85095)
IUPAC Name 
(3R)-3-(pentanoyloxy)-4-(trimethylammonio)butanoate
Synonym  Source
pentanoyl-L-carnitineChEBI
Manual XrefsDatabases
HMDB0013128HMDB
Registry NumbersSources
Reaxys:5946883Reaxys