Record Information
Version1.0
StatusDetected and Quantified
Creation Date2022-06-05 23:09:33 UTC
Update Date2022-09-01 02:28:45 UTC
Metabolite IDMMDBc0054375
Metabolite Identification
Common Namebutanoic acid
Descriptionbutyrate, also known as 1-butanoate or 1-butanoic acid, belongs to the class of organic compounds known as straight chain fatty acids. These are fatty acids with a straight aliphatic chain. butyrate is a weakly acidic compound (based on its pKa).
Structure
Synonyms
ValueSource
1-ButanoateChEBI
1-ButyrateChEBI
1-PropanecarboxylateChEBI
ButanateChEBI
ButanoateChEBI
Butanoic acid, ion(1-)ChEBI
CH3-[CH2]2-COO(-)ChEBI
N-ButanoateChEBI
N-ButyrateChEBI
PropanecarboxylateChEBI
PropylformateChEBI
1-Butanoic acidGenerator
1-Butyric acidGenerator
1-Propanecarboxylic acidGenerator
Butanic acidGenerator
Butanoic acidGenerator
Butanoate, ion(1-)Generator
N-Butanoic acidGenerator
N-Butyric acidGenerator
Propanecarboxylic acidGenerator
Propylformic acidGenerator
Butyric acidGenerator
Molecular FormulaC4H7O2
Average Mass87.099
Monoisotopic Mass87.045153045
IUPAC Namebutanoate
Traditional Namebutyrate
CAS Registry NumberNot Available
SMILES
CCCC([O-])=O
InChI Identifier
InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)/p-1
InChI KeyFERIUCNNQQJTOY-UHFFFAOYSA-M