CHEBI:48944 - isobutyrate

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ChEBI Name isobutyrate
ChEBI ID CHEBI:48944
Definition A branched, short-chain, saturated fatty acid anion; the conjugate base of isobutyric acid, formed by deprotonation of the carboxylic acid group.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:11627, CHEBI:25334
Supplier Information
Download Molfile XML SDF
Formula C4H7O2
Net Charge -1
Average Mass 87.09718
Monoisotopic Mass 87.04515
InChI InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)/p-1
InChIKey KQNPFQTWMSNSAP-UHFFFAOYSA-M
SMILES CC(C)C([O-])=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing isobutyrate (CHEBI:48944) has functional parent propionate (CHEBI:17272)
isobutyrate (CHEBI:48944) has role human metabolite (CHEBI:77746)
isobutyrate (CHEBI:48944) has role plant metabolite (CHEBI:76924)
isobutyrate (CHEBI:48944) is a branched-chain saturated fatty acid anion (CHEBI:58956)
isobutyrate (CHEBI:48944) is a fatty acid anion 4:0 (CHEBI:78115)
isobutyrate (CHEBI:48944) is conjugate base of isobutyric acid (CHEBI:16135)
Incoming 2-hydroxyisobutyrate (CHEBI:19641) has functional parent isobutyrate (CHEBI:48944)
isobutyric acid (CHEBI:16135) is conjugate acid of isobutyrate (CHEBI:48944)
IUPAC Name
2-methylpropanoate
Synonyms Sources
2-methylpropanoate UniProt
2-methylpropanoic acid, ion(1−) ChemIDplus
2-methylpropionate ChEBI
i-butyrate ChEBI
iPrCO2 anion NIST Chemistry WebBook
isobutanoate ChEBI
Isobutyrat ChEBI
isobutyric acid anion ChEBI
methylpropanoate ChEBI
Manual Xrefs Databases
c0383 UM-BBD
ISOBUTYRATE MetaCyc
View more database links
Registry Numbers Types Sources
324364 Gmelin Registry Number Gmelin
3903644 Beilstein Registry Number Beilstein
3903644 Reaxys Registry Number Reaxys
5711-69-3 CAS Registry Number NIST Chemistry WebBook
5711-69-3 CAS Registry Number ChemIDplus
Last Modified
16 April 2018