Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-18 22:09:03 UTC
Update Date2022-08-31 21:44:47 UTC
Metabolite IDMMDBc0032874
Metabolite Identification
Common NameHexanoate (N-C6:0)
DescriptionHexanoate (n-c6:0) belongs to the class of Carboxylic Acid Salts. These are ionic derivatives of carboxylic acid. (inferred from compound structure)Hexanoic acid (caproic acid), is the carboxylic acid derived from hexane with the general formula C5H11COOH
Structure
SynonymsNot Available
Molecular FormulaC6H11O2
Average Mass115.1503
Monoisotopic Mass115.075904596
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILESNot Available
InChI Identifier
InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)/p-1
InChI KeyFUZZWVXGSFPDMH-UHFFFAOYSA-M