5'-UMP   Click here for help

GtoPdb Ligand ID: 5125

Synonyms: UMP | uridine 5'-monophosphate | uridine monophosphate | uridylic acid
PDB Ligand
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 9
Hydrogen bond donors 5
Rotatable bonds 4
Topological polar surface area 181.12
Molecular weight 324.04
XLogP -3.08
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC1C(O)C(OC1n1ccc(=O)[nH]c1=O)COP(=O)(O)O
Isomeric SMILES O[C@@H]1[C@H](O)[C@H](O[C@H]1n1ccc(=O)[nH]c1=O)COP(=O)(O)O
InChI InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
InChI Key DJJCXFVJDGTHFX-XVFCMESISA-N
Classification Click here for help
Compound class Metabolite or derivative
IUPAC Name Click here for help
{[(2R,3S,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid
Synonyms Click here for help
UMP | uridine 5'-monophosphate | uridine monophosphate | uridylic acid
Database Links Click here for help
CAS Registry No. 58-97-9
ChEBI CHEBI:16695
ChEMBL Ligand CHEMBL214393
GtoPdb PubChem SID 178101818
PubChem CID 6030
RCSB PDB Ligand U5P, U
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Wikipedia Uridine_monophosphate