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CHEBI:70819 - isovaleryl-L-carnitine

ChEBI IDCHEBI:70819
ChEBI Nameisovaleryl-L-carnitine
Stars
ASCII Nameisovaleryl-L-carnitine
DefinitionAn O-isovalerylcarnitine that is the 3-methylbutanoyl (isovaleryl) derivative of L-carnitine.
Last Modified14 February 2017
Submittermwilliams
DownloadsMolfile
FormulaC12H23NO4
Net Charge0
Average Mass245.319
Monoisotopic Mass245.16271
SMILESCC(C)CC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C
InChIInChI=1S/C12H23NO4/c1-9(2)6-12(16)17-10(7-11(14)15)8-13(3,4)5/h9-10H,6-8H2,1-5H3/t10-/m1/s1
InChIKeyIGQBPDJNUXPEMT-SNVBAGLBSA-N
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Application:
bone density conservation agent  An agent that inhibits bone resorption and/or favor bone mineralization and bone regeneration. Used to heal bone fractures and to treat bone diseases such as osteopenia and osteoporosis.
ChEBI Ontology
Outgoing Relation(s)
isovaleryl-L-carnitine (CHEBI:70819) has role bone density conservation agent (CHEBI:50646)
isovaleryl-L-carnitine (CHEBI:70819) is a O-isovalerylcarnitine (CHEBI:73025)
isovaleryl-L-carnitine (CHEBI:70819) is a methyl-branched fatty acyl-L-carnitine (CHEBI:133447)
IUPAC Name 
(3R)-3-[(3-methylbutanoyl)oxy]-4-(trimethylazaniumyl)butanoate
UniProt Name  Source
O-3-methylbutanoyl-(R)-carnitineUniProt
Manual XrefsDatabases
HMDB0000688HMDB
US6906102Patent
US7084174Patent
US2010189704Patent
WO0249639Patent
EP1351676Patent
US2005143458Patent
Registry NumbersSources
Reaxys:5946880Reaxys
CAS:31023-24-2ChemIDplus
Citations