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. 77-92-9 (source: DrugBank)
ChEBI CHEBI:30769
ChEMBL Ligand 340769
DrugBank Ligand DB04272
Human Metabolome Database HMDB00094
PharmGKB Drug PA449021
PubChem CID 311
RCSB PDB Ligand CIT
Search Google for chemical match using the InChIKey KRKNYBCHXYNGOX-UHFFFAOYSA-N
Search Google for chemicals with the same backbone KRKNYBCHXYNGOX
Wikipedia Citric_acid
ZINC ZINC00895081

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