General
Preferred name
Itaconic acid
Synonyms
Methylenesuccinic Acid ()
2-Methylenesuccinic Acid ()
2-Methylene-Succinic Acid ()
ITACONATE ()
P&D ID
PD144392
CAS
97-65-4
25119-64-6
Tags
covalent binder
natural product
available
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
3
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
33
Properties
(calculated by RDKit )
Molecular Weight
130.03
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
2
Rotatable Bonds
3
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
0.53
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Metabolic Enzyme/Protease
Target
Endogenous Metabolite
Source data
