PSU

PSEUDOURIDINE-5'-MONOPHOSPHATE

Created: 1999-07-08
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count34
Chiral Atom Count4
Bond Count35
Aromatic Bond Count0
2D diagram of PSU

Chemical Component Summary

NamePSEUDOURIDINE-5'-MONOPHOSPHATE
Systematic Name (OpenEye OEToolkits)[(2R,3S,4R,5S)-5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate
FormulaC9 H13 N2 O9 P
Molecular Weight324.181
TypeRNA LINKING

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=P(OCC2OC(C1=CNC(=O)NC1=O)C(O)C2O)(O)O
SMILESCACTVS3.341O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)C2=CNC(=O)NC2=O
SMILESOpenEye OEToolkits1.5.0C1=C(C(=O)NC(=O)N1)C2C(C(C(O2)COP(=O)(O)O)O)O
Canonical SMILESCACTVS3.341 O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(O)=O)C2=CNC(=O)NC2=O
Canonical SMILESOpenEye OEToolkits1.5.0 C1=C(C(=O)NC(=O)N1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O
InChIInChI1.03 InChI=1S/C9H13N2O9P/c12-5-4(2-19-21(16,17)18)20-7(6(5)13)3-1-10-9(15)11-8(3)14/h1,4-7,12-13H,2H2,(H2,16,17,18)(H2,10,11,14,15)/t4-,5-,6-,7+/m1/s1
InChIKeyInChI1.03 MOBMOJGXNHLLIR-GBNDHIKLSA-N

Drug Info: DrugBank

DrugBank IDDB03829 
NamePseudouridine-5'-Monophosphate
Groups experimental
SynonymsPseudouridine-5'-Monophosphate

Related Resource References

Resource NameReference
PubChem 5280405, 439424
ChEBI CHEBI:18116