ADP-ribosylarginine

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 6
Total Number of Articles : 8
PubChem 46173712
Molecular Formula

C21H35N9O15P2

SMILES

C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)NC(=NCCC[C@@H](C(=O)O)N)N)O)O)O)O)N

InChI

InChI=1S/C21H35N9O15P2/c22-8(20(35)36)2-1-3-25-21(24)29-18-14(33)12(31)9(43-18)4-41-46(37,38)45-47(39,40)42-5-10-13(32)15(34)19(44-10)30-7-28-11-16(23)26-6-27-17(11)30/h6-10,12-15,18-19,31-34H,1-5,22H2,(H,35,36)(H,37,38)(H,39,40)(H2,23,26,27)(H3,24,25,29)/t8-,9+,10+,12+,13+,14+,15+,18-,19+/m0/s1

synonyms
  • ADP-Ribosylarginine
  • Nomega-(ADP-D-ribosyl)-L-arginine
  • 103960-56-1
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Properties
Property Value
MW 715.5 g/mol
HBD 11
HBA 21
Rotatable Bond Count 16
Exact Mass 715.17278544 g/mol
Monoisotopic Mass 715.17278544 g/mol
Heavy Atom Count 47
Isotope Atom Count 0
Atom Stereo Count 9
Covalent Unit Count 1
Complexity 1210
xlogp -9.5
Topological Polar Surface Area 385