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CHEBI:84834 - O-hexanoyl-L-carnitine

ChEBI IDCHEBI:84834
ChEBI NameO-hexanoyl-L-carnitine
Stars
ASCII NameO-hexanoyl-L-carnitine
DefinitionAn O-hexanoylcarnitine that has L configuration.
Last Modified8 February 2017
Submitternhn
DownloadsMolfile
FormulaC13H25NO4
Net Charge0
Average Mass259.346
Monoisotopic Mass259.17836
SMILESCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C
InChIInChI=1S/C13H25NO4/c1-5-6-7-8-13(17)18-11(9-12(15)16)10-14(2,3)4/h11H,5-10H2,1-4H3/t11-/m1/s1
InChIKeyVVPRQWTYSNDTEA-LLVKDONJSA-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-hexanoyl-L-carnitine (CHEBI:84834) has role human metabolite (CHEBI:77746)
O-hexanoyl-L-carnitine (CHEBI:84834) is a O-hexanoylcarnitine (CHEBI:70749)
O-hexanoyl-L-carnitine (CHEBI:84834) is a medium-chain fatty acyl-L-carnitine (CHEBI:229628)
O-hexanoyl-L-carnitine (CHEBI:84834) is a saturated fatty acyl-L-carnitine (CHEBI:133445)
Incoming Relation(s)
hexanoyl-L-carnitine-d3 (CHEBI:192246) is a O-hexanoyl-L-carnitine (CHEBI:84834)
IUPAC Name 
(3R)-3-(hexanoyloxy)-4-(trimethylazaniumyl)butanoate
Synonyms  Source
hexanoyl-L-carnitineChEBI
(R)-hexanoylcarnitineChEBI
L-HexanoylcarnitineHMDB
(R)-CaproylcarnitineHMDB
UniProt Name  Source
O-hexanoyl-(R)-carnitineUniProt
Manual XrefsDatabases
HMDB0000756HMDB
Registry NumbersSources
Reaxys:6293309Reaxys
CAS:22671-29-0HMDB
Citations