orotic acid   Click here for help

GtoPdb Ligand ID: 4690

Synonyms: orotate
PDB Ligand
Comment: Orotic acid has been assigned an INN in its own right and is also a component of the INN-assigned compound orazamide.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 1
Topological polar surface area 103.02
Molecular weight 156.02
XLogP -0.47
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=c1[nH]c(=O)[nH]c(c1)C(=O)O
Isomeric SMILES O=c1[nH]c(=O)[nH]c(c1)C(=O)O
InChI InChI=1S/C5H4N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11)
InChI Key PXQPEWDEAKTCGB-UHFFFAOYSA-N
Classification Click here for help
Compound class Metabolite or derivative
IUPAC Name Click here for help
2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
International Nonproprietary Names Click here for help
INN number INN
2957 orazamide
3502 orotic acid
Synonyms Click here for help
orotate
Database Links Click here for help
CAS Registry No. 65-86-1 (source: Scifinder)
ChEBI CHEBI:16742
ChEMBL Ligand CHEMBL1235017
DrugCentral Ligand 3402
GtoPdb PubChem SID 178101403
PubChem CID 967
RCSB PDB Ligand ORO
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Wikipedia Orotic_acid