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CHEBI:114126 - sodium hexanoate

ChEBI IDCHEBI:114126
ChEBI Namesodium hexanoate
Stars
DefinitionAn organic sodium salt resulting from the replacement of the proton from the carboxy group of hexanoic acid by a sodium ion.
Last Modified12 April 2016
DownloadsMolfile
FormulaC6H11O2.Na
Net Charge0
Average Mass138.142
Monoisotopic Mass138.06567
SMILESCCCCCC(=O)[O-].[Na+]
InChIInChI=1S/C6H12O2.Na/c1-2-3-4-5-6(7)8;/h2-5H2,1H3,(H,7,8);/q;+1/p-1
InChIKeyUDWXLZLRRVQONG-UHFFFAOYSA-M
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
sodium hexanoate (CHEBI:114126) has part hexanoate (CHEBI:17120)
sodium hexanoate (CHEBI:114126) has role human metabolite (CHEBI:77746)
sodium hexanoate (CHEBI:114126) is a organic sodium salt (CHEBI:38700)
IUPAC Name 
sodium hexanoate
Synonyms  Source
Sodium capronateChemIDplus
Hexanoic acid, sodium saltChemIDplus
Sodium caproateChemIDplus
Sodium n-caproateChemIDplus
Registry NumbersSources
Reaxys:3631527Reaxys
CAS:10051-44-2ChemIDplus
Citations