PSU

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Summary

Name:PSEUDOURIDINE-5'-MONOPHOSPHATE
Formula:C9 H13 N2 O9 P
Formal charge:0
Molecular weight:324.181 Da
Component type:RNA LINKING

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(1S)-1,4-anhydro-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-O-phosphono-D-ribitol
OpenEye OEToolkits1.5.0[(2R,3S,4R,5S)-5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=P(OCC2OC(C1=CNC(=O)NC1=O)C(O)C2O)(O)O
SMILES_CANONICALCACTVS3.341O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(O)=O)C2=CNC(=O)NC2=O
SMILESCACTVS3.341O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)C2=CNC(=O)NC2=O
SMILES_CANONICALOpenEye OEToolkits1.5.0C1=C(C(=O)NC(=O)N1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O
SMILESOpenEye OEToolkits1.5.0C1=C(C(=O)NC(=O)N1)C2C(C(C(O2)COP(=O)(O)O)O)O
InChIInChI1.03InChI=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
InChIKeyInChI1.03MOBMOJGXNHLLIR-GBNDHIKLSA-N
169117
PDB entries from 2020-09-23