General
Preferred name
alpha-Ketoisocaproic acid
Synonyms
4-Methyl-2-oxopentanoic acid ()
α-Ketoisocaproic acid ()
4-Methyl-2-oxovaleric acid ()
Ketoleucine, 4-MOV, KIC, 4-Methyl-2-oxopentanoic acid, alpha-Ketoisocaproic acid, alpha-ketoisocaproate, 2-Oxoisohexanoate ()
α-ketoisocaproate ()
alpha-Ketoisocaproate ()
alpha-Oxoisohexanoate ()
2-Oxoisohexanoate ()
?-Ketoisocaproic Acid (sodium salt) ()
?-Ketoisocaproic Acid ()
P&D ID
PD007318
CAS
4502-00-5
86362-17-6
816-66-0
Tags
drug candidate
natural product
available
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()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
9
Concise Guide to Pharmacology 2017/18
Concise Guide to Pharmacology 2019/20
Concise Guide to Pharmacology 2021/22
Concise Guide to Pharmacology 2023/24
DrugBank
Guide to Pharmacology
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
67
Properties
(calculated by RDKit )
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
0.0
Largest ring
0.0
QED
0.57
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Metabolic Enzyme/Protease
Target
Endogenous Metabolite
Dehydrogenase,OXPHOS
Source data
