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CHEBI:70749 - O-hexanoylcarnitine

ChEBI IDCHEBI:70749
ChEBI NameO-hexanoylcarnitine
Stars
ASCII NameO-hexanoylcarnitine
DefinitionAn O-acylcarnitine compound having hexanoyl as the acyl substituent.
Last Modified23 October 2015
Submittermwilliams
DownloadsMolfile
FormulaC13H25NO4
Net Charge0
Average Mass259.346
Monoisotopic Mass259.17836
SMILESCCCCCC(=O)OC(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
InChIKeyVVPRQWTYSNDTEA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (21886157 )
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
O-hexanoylcarnitine (CHEBI:70749) has role human metabolite (CHEBI:77746)
O-hexanoylcarnitine (CHEBI:70749) is a O-acylcarnitine (CHEBI:17387)
O-hexanoylcarnitine (CHEBI:70749) is a hexanoate ester (CHEBI:87656)
Incoming Relation(s)
O-hexanoyl-L-carnitine (CHEBI:84834) is a O-hexanoylcarnitine (CHEBI:70749)
IUPAC Name 
3-(hexanoyloxy)-4-(trimethylazaniumyl)butanoate
Synonyms  Source
3-(hexanoyloxy)-4-(trimethylammonio)butanoateIUPAC
hexanoylcarnitineChEBI
Manual XrefsDatabases
HMDB0000705HMDB
Registry NumbersSources
Reaxys:1883044Reaxys
CAS:6418-78-6HMDB
Citations