uric acid   Click here for help

GtoPdb Ligand ID: 4731

Synonyms: urate
PDB Ligand
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 4
Rotatable bonds 0
Topological polar surface area 114.37
Molecular weight 168.03
XLogP -0.58
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=c1[nH]c2c([nH]1)[nH]c(=O)[nH]c2=O
Isomeric SMILES O=c1[nH]c2c([nH]1)[nH]c(=O)[nH]c2=O
InChI InChI=1S/C5H4N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12)
InChI Key LEHOTFFKMJEONL-UHFFFAOYSA-N
Classification Click here for help
Compound class Metabolite or derivative
IUPAC Name Click here for help
2,3,6,7,8,9-hexahydro-1H-purine-2,6,8-trione
Synonyms Click here for help
urate
Database Links Click here for help
CAS Registry No. 69-93-2 (source: Scifinder)
ChEBI CHEBI:27226
ChEMBL Ligand CHEMBL792
GtoPdb PubChem SID 178101442
PubChem CID 1175
RCSB PDB Ligand 8HX, URC
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Wikipedia Uric_acid