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ONE

Summary
Name:1-(BETA-D-RIBOFURANOSYL)-PYRIDIN-4-ONE-5'-PHOSPHATE
Formula:C10 H14 N O8 P
Formal charge:0
Formula weight:307.194 Da
Component type:RNA LINKING

Chemical Identifiers

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

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C1C=CN(C=C1)C2OC(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(=O)C=C2
SMILESCACTVS3.341O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2C=CC(=O)C=C2
SMILES_CANONICALOpenEye OEToolkits1.5.0C1=CN(C=CC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O
SMILESOpenEye OEToolkits1.5.0C1=CN(C=CC1=O)C2C(C(C(O2)COP(=O)(O)O)O)O
InChIInChI1.03InChI=1S/C10H14NO8P/c12-6-1-3-11(4-2-6)10-9(14)8(13)7(19-10)5-18-20(15,16)17/h1-4,7-10,13-14H,5H2,(H2,15,16,17)/t7-,8-,9-,10-/m1/s1
InChIKeyInChI1.03SMHHXNJIRLTYFN-ZYUZMQFOSA-N

226262

PDB entries from 2024-10-16

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