General
Preferred name
Isocitric Acid
Synonyms
Sodium 1-hydroxypropane-1,2,3-tricarboxylate hydrate ()
Isocitric acid trisodium salt ()
DL-Isocitric Acid (sodium salt hydrate) ()
DL-Isocitric acid (trisodium salt) ()
DL-Isocitric acid trisodium salt ()
ISOCITRATE ()
DL-threo-Isocitric Acid (sodium salt hydrate) ()
DL-erythro/threo-Isocitric Acid (sodium salt hydrate) ()
P&D ID
PD043094
CAS
320-77-4
1637-73-6
Tags
available
drug candidate
Drug indication
Discovery agent
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)
PRICE
29
PRICE
2836
DESCRIPTION
Isocitric acid (Isocitrate), an isomer of citric acid, is a substrate for citric acid cycle and an endogenous metabolite, which has potential for the treatment of Parkinson??s disease, Fe-deficiency anemia, and metabolic myopathies associated with a shortage of succinate dehydrogenase and aconitate hydratase, as well as the mutation of the gene of NADP-dependent isocitrate dehydrogenase 1 (IDH1).
DESCRIPTION
DL-Isocitric acid trisodium salt is the protonated form of isocitrate, a substrate in the citric acid cycle. It is useful as a marker for determining the composition of isocitrates in fruit products, including fruit juices.
(TargetMol Bioactive Compound Library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
6
DrugMAP
MedChem Express Bioactive Compound Library
Other bioactive compounds
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
53
Molecular Weight
192.03
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
4
Rotatable Bonds
5
Ring Count
0
Aromatic Ring Count
0
cLogP
-1.39
TPSA
132.13
Fraction CSP3
0.5
Chiral centers
2.0
Largest ring
0.0
QED
0.42
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Metabolic Enzyme/Protease
Metabolism
Target
Endogenous Metabolite
Source data
