General
Preferred name
Alpha-ketoisovalerate
Synonyms
3-Methyl-2-oxobutanoic acid ()
alpha-Ketoisovalerate, alpha-Ketoisovaleric acid ()
2-Oxoisovalerate ()
P&D ID
PD006500
CAS
759-05-7
Tags
available
drug candidate
Drug indication
Discovery agent
Drug Status
experimental
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION 3-Methyl-2-oxobutanoic acid is a precursor of pantothenic acid in Escherichia coli.
PRICE 29
DESCRIPTION 3-Methyl-2-oxobutanoic acid (2-Oxoisovaleric acid) is an abnormal metabolite that arises from the incomplete breakdown of branched-chain amino acids. 3-Methyl-2-oxobutanoic acid is a neurotoxin, an acidogen, and a metabotoxin. A neurotoxin causes damage to nerve cells and nerve tissues. 3-Methyl-2-oxobutanoic acid is a keto-acid, which is a subclass of organic acids. Abnormally high levels of organic acids in the blood (organic acidemia), urine (organic aciduria), the brain, and other tissues lead to general metabolic acidosis.
Compound Sets
4
DrugBank
DB04074
DrugMAP
DMBZTS5
MedChem Express Bioactive Compound Library
HY-W006057
Selleckchem Bioactive Compound Library
methyl-2-oxobutanoic-acid
External IDs
52
Properties
(calculated by RDKit )
Molecular Weight
116.05
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
1
Rotatable Bonds
2
Ring Count
0
Aromatic Ring Count
0
cLogP
0.3
TPSA
54.37
Fraction CSP3
0.6
Chiral centers
0.0
Largest ring
0.0
QED
0.53
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
Endogenous Metabolite
Pathway
Metabolic Enzyme/Protease
Source data