CH

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Summary

Name:N3-PROTONATED CYTIDINE-5'-MONOPHOSPHATE
Formula:C9 H15 N3 O8 P
Formal charge:1
Molecular weight:324.204 Da
Component type:RNA LINKING

Chemical Identifiers

ProgramVersionName
ACDLabs10.045'-cytidylic acid
OpenEye OEToolkits1.5.0[(2R,3S,4R,5R)-5-(4-amino-2-oxo-3H-pyrimidin-1-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C1NC(N)=CC=[N+]1C2OC(C(O)C2O)COP(=O)(O)O
SMILES_CANONICALCACTVS3.341NC1=CC=[N+]([C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1
SMILESCACTVS3.341NC1=CC=[N+]([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C(=O)N1
SMILES_CANONICALOpenEye OEToolkits1.5.0C1=C(NC(=O)[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N
SMILESOpenEye OEToolkits1.5.0C1=C(NC(=O)[N+](=C1)C2C(C(C(O2)COP(=O)(O)O)O)O)N
InChIInChI1.03InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H4,10,11,15,16,17,18)/p+1/t4-,6-,7-,8-/m1/s1
InChIKeyInChI1.03ULTJSGLMABORQB-XVFCMESISA-O
167132
PDB entries from 2020-07-29