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Summary

Name:2'-DEOXYINOSINE-5'-MONOPHOSPHATE
Formula:C10 H13 N4 O7 P
Formal charge:0
Molecular weight:332.207 Da
Component type:DNA LINKING

Chemical Identifiers

ProgramVersionName
ACDLabs10.042'-deoxy-5'-inosinic acid
OpenEye OEToolkits1.5.0[(2R,3S,5R)-3-hydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C1c2ncn(c2N=CN1)C3OC(C(O)C3)COP(=O)(O)O
SMILES_CANONICALCACTVS3.341O[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)=O)n2cnc3C(=O)NC=Nc23
SMILESCACTVS3.341O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)n2cnc3C(=O)NC=Nc23
SMILES_CANONICALOpenEye OEToolkits1.5.0c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=CNC2=O
SMILESOpenEye OEToolkits1.5.0c1nc2c(n1C3CC(C(O3)COP(=O)(O)O)O)N=CNC2=O
InChIInChI1.03InChI=1S/C10H13N4O7P/c15-5-1-7(21-6(5)2-20-22(17,18)19)14-4-13-8-9(14)11-3-12-10(8)16/h3-7,15H,1-2H2,(H,11,12,16)(H2,17,18,19)/t5-,6+,7+/m0/s1
InChIKeyInChI1.03PHNGFPPXDJJADG-RRKCRQDMSA-N
167518
PDB entries from 2020-08-12