COI

2-OXO-4-METHYLPENTANOIC ACID

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is present as a standalone ligand in 12 entries

as a non-polymer is covalently linked to polymer or other heterogen groups 3 entries

is present in a polymer sequence 2 entries

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Chemical Component Summary
Name	2-OXO-4-METHYLPENTANOIC ACID
Synonyms	alpha-ketoisocaproic acid
Identifiers	4-methyl-2-oxidanylidene-pentanoic acid
Formula	C₆ H₁₀ O₃
Molecular Weight	130.142
Type	NON-POLYMER
Isomeric SMILES	CC(C)CC(=O)C(=O)O
InChI	InChI=1S/C6H10O3/c1-4(2)3-5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)
InChIKey	BKAJNAXTPSGJCU-UHFFFAOYSA-N

Chemical Details
Formal Charge	0
Atom Count	19
Chiral Atom Count	0
Bond Count	18
Aromatic Bond Count	0

Drug Info: DrugBank

DrugBank ID	DB03229
Name	alpha-Ketoisocaproic acid
Groups	experimental
Synonyms	Calcium 4-methyl-2-oxovalerate alpha-Ketoisocaproic acid 4-methyl-2-oxopentanoic acid 4-Methyl-2-oxopentanoate Ketoleucine 2-oxoleucine 4-methyl-2-oxovaleric acid α-ketoisocaproic acid 2-oxo-4-methylpentanoic acid 2-Oxoisocaproate alpha-Ketoisocaproate
Categories	Caproates
CAS number	816-66-0

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Deacetoxycephalosporin C synthase	MDTTVPTFSLAELQQGLHQDEFRRCLRDKGLFYLTDCGLTDTELKSAKDL...	unknown
D-2-hydroxyisocaproate dehydrogenase	MKIIAYGARVDEIQYFKQWAKDTGNTLEYHTEFLDENTVEWAKGFDGINS...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682