citric acid

Ligand id: 2478

Name: citric acid

Structure and Physico-chemical Properties

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
Classification
Compound class Metabolite or derivative
IUPAC Name
2-hydroxypropane-1,2,3-tricarboxylic acid
Synonyms
citrate
Database Links
BindingDB Ligand 14672
CAS Registry No. 77-92-9
ChEBI CHEBI:30769
ChEMBL Ligand CHEMBL1261
DrugBank Ligand DB04272
GtoPdb PubChem SID 135651460
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
Search UniChem for chemical match using the InChIKey KRKNYBCHXYNGOX-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone KRKNYBCHXYNGOX
Wikipedia Citric_acid

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Tocris
Citric acid
Cat. No. 3160