General
Preferred name
alpha-Keto-beta-methylvaleric acid
Synonyms
3-Methyl-2-oxovaleric acid ()
P&D ID
PD102029
CAS
39748-49-7
1460-34-0
Tags
available
drug candidate
Drug Status
experimental
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
3-Methyl-2-oxovaleric acid is a degradation product from Isoleucine. 3-Methyl-2-oxovaleric acid is a biomarker of mustard airway diseases (MADs) and uric acid stone[1][2].
PRICE
29
DESCRIPTION
3-Methyl-2-oxovaleric acid is an abnormal metabolite from the incomplete breakdown of branched-chain amino acids. It acts as a neurotoxin, acidogen, and metabotoxin, with the potential to cause nerve cell damage and various metabolic disturbances.
(TargetMol Bioactive Compound Library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
3
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
53
Molecular Weight
130.06
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
1
Rotatable Bonds
3
Ring Count
0
Aromatic Ring Count
0
cLogP
0.69
TPSA
54.37
Fraction CSP3
0.67
Chiral centers
1.0
Largest ring
0.0
QED
0.57
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
Endogenous Metabolite
Human Endogenous Metabolite
Pathway
Metabolic Enzyme/Protease
Metabolism
Source data
