Isobutyric acid


Description:
Isobutyric acid is a branched fatty acid comprising propanoic acid carrying a methyl branch at C-2. It has a role as a volatile oil component, a plant metabolite and a Daphnia magna metabolite. It is a branched-chain saturated fatty acid, a methyl-branched fatty acid and a fatty acid 4:0. It is a conjugate acid of an isobutyrate. Experimental spectrum in Natural Products Magnetic Resonance Database: [NP0000989](https://np-mrd.org/natural_products/562/submission_spectrum_view?spectrum_id=350&spectrum_type=real)

Property Value
Metabolite name Isobutyric acid
AMDB ID 18
PubChem CID 6590
HMDB ID HMDB0001873
KEGG ID C02632
ChEBI ID 16135
Molecular formula C4H8O2
Molecular weight 88.11
Monoisotopic mass 88.052429497
IUPAC name 2-methylpropanoic acid

NMR:

Functional group Multiplicity Shift Number of protons
(CH3)2 doublet 1.059 6

Synonyms:

Isobutyrate, Isobutyric acid


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