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PYO

Summary
Name:1-(BETA-D-RIBOFURANOSYL)-PYRIMIDIN-2-ONE-5'-PHOSPHATE
Formula:C9 H13 N2 O8 P
Formal charge:0
Formula weight:308.182 Da
Component type:RNA LINKING

Chemical Identifiers

ProgramVersionName
ACDLabs10.041-(5-O-phosphono-beta-D-ribofuranosyl)pyrimidin-2(1H)-one
OpenEye OEToolkits1.5.0[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-oxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C1N=CC=CN1C2OC(C(O)C2O)COP(=O)(O)O
SMILES_CANONICALCACTVS3.341O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(O)=O)N2C=CC=NC2=O
SMILESCACTVS3.341O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2C=CC=NC2=O
SMILES_CANONICALOpenEye OEToolkits1.5.0C1=CN(C(=O)N=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O
SMILESOpenEye OEToolkits1.5.0C1=CN(C(=O)N=C1)C2C(C(C(O2)COP(=O)(O)O)O)O
InChIInChI1.03InChI=1S/C9H13N2O8P/c12-6-5(4-18-20(15,16)17)19-8(7(6)13)11-3-1-2-10-9(11)14/h1-3,5-8,12-13H,4H2,(H2,15,16,17)/t5-,6-,7-,8-/m1/s1
InChIKeyInChI1.03LBWXMAFPEFFHIJ-WCTZXXKLSA-N

223532

PDB entries from 2024-08-07

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