4-methyl-2-oxopentanoate

Chemical Formula:

C₆H₉O₃

Molecular Weight:

129.135 Daltons

Monoisotopic Mass:

130.0629941873 Daltons

SMILES:

CC(C)CC(C([O-])=O)=O

InChI:

1S/C6H10O3/c1-4(2)3-5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)/p-1

InChIKey:

BKAJNAXTPSGJCU-UHFFFAOYSA-M

Synonyms

2-keto-4-methyl-pentanoate
2-oxoisocaproate
2-oxo-4-methylpentanoate
α-ketoisocaproate
α-oxoisocaproate
2-ketoisocaproate
ketoleucine
4-methyl-2-oxopentanoic acid
2-ketoisocaproic acid

Databases

MetaCyc: 2K-4CH3-PENTANOATE

RefMet: Ketoleucine

BiGG: 4mop

MetaboLights: MTBLC17865

HMDB: HMDB00695

ChemSpider: 2766269

PubChem (CID): 3527278 70

ChEBI: 17865 48430

KEGG: C00233

CAS: 816-66-0

Seed: cpd00200

MetaNetX: MNXM404

PupChem (SID): 3532

CHEMBL: CHEMBL445647

KNApSAcK: C00019677

PDB-CCD: COI

3DMET: B00066

NIKKAJI: J39.557I