Ligand Id: 2478
Ligand name citric acid

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 4
Rotatable bonds 5
Topological polar surface area 132.13
Molecular weight 192.03
XLogP -2.25
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Summary Biological activity References Structure Similar ligands
Classification
Compound class Metabolite or derivative
DrugBank groups experimental
IUPAC Name
2-hydroxypropane-1,2,3-tricarboxylic acid
Synonyms
citrate
Database Links
BindingDB Ligand 14672
CAS Registry No. 512-26-5 (source: NCI), 5077-53-2 (source: NCI), 77-92-9 (source: DrugBank), 6018-92-4 (source: NCI), 27905-02-8 (source: NCI), 4194-69-8 (source: NCI), 3344-18-1 (source: NCI), 3522-50-7 (source: NCI)
ChEBI CHEBI:30769
ChEMBL Ligand 664291, 692515, 700694, 130072, 147340, 186784, 202784, 203650, 274622, 340769, 376412, 389670, 389807, 437653, 478254, 478314, 527624, 574160, 632065, 637146
DrugBank Ligand DB04272
Human Metabolome Database HMDB00094
PharmGKB Drug PA449021
PubChem CID 311
RCSB PDB Ligand CIT
Search on ChemSpider KRKNYBCHXYNGOX-UHFFFAOYSA-N
ZINC ZINC00895081

Please note: some links may refer to related isomers. For more details please contact: curators@iuphar-db.org

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