General
Preferred name
Mesaconate
Synonyms
2-Methylmaleic Acid ()
Cis-Methylbutenedioic Acid ()
Methylfumaric acid ()
Kyselina mesakonova ()
Citraconic acid ()
Mesaconic acid ()
Methylmaleic Acid ()
CA ()
P&D ID
PD040094
CAS
498-23-7
498-24-8
7407-59-2
Tags
drug candidate
natural product
available
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()] ]]
Compound Sets
5
DrugBank
DB04734
DrugMAP
DMCIM9A
MedChem Express Bioactive Compound Library
HY-113298
Selleckchem Bioactive Compound Library
citraconic-acid
TargetMol Bioactive Compound Library
T4525
T20880
External IDs
40
Properties
(calculated by RDKit )
Molecular Weight
130.03
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
2
Rotatable Bonds
2
Ring Count
0
Aromatic Ring Count
0
cLogP
0.1
TPSA
74.6
Fraction CSP3
0.2
Chiral centers
0.0
Largest ring
0.0
QED
0.52
QED
0.52
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Pathway
Metabolism
Metabolic Enzyme/Protease
Target
Endogenous Metabolite
Source data