Chemical Component Summary

Name7-BENZYL GUANINE MONOPHOSPHATE
Identifiers[(2R,3S,4R,5R)-5-[2-amino-6-oxo-7-(phenylmethyl)-1H-purin-7-ium-9-yl]-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate
FormulaC17 H21 N5 O8 P
Molecular Weight454.351
TypeRNA LINKING
Isomeric SMILESc1ccc(cc1)C[n+]2cn(c3c2C(=O)NC(=N3)N)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O
InChIInChI=1S/C17H20N5O8P/c18-17-19-14-11(15(25)20-17)21(6-9-4-2-1-3-5-9)8-22(14)16-13(24)12(23)10(30-16)7-29-31(26,27)28/h1-5,8,10,12-13,16,23-24H,6-7H2,(H4-,18,19,20,25,26,27,28)/p+1/t10-,12-,13-,16-/m1/s1
InChIKeyWMKJRKYLDWLLPS-XNIJJKJLSA-O

Chemical Details

Formal Charge1
Atom Count52
Chiral Atom Count4
Bond Count55
Aromatic Bond Count11

Related Resource References

Resource NameReference
Pharos CHEMBL1234304
PubChem 135566346, 13872081
ChEMBL CHEMBL1234304