Cyclic ADP-Ribose

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 76
Total Number of Articles : 235
PubChem 123847
Molecular Formula

C15H21N5O13P2

SMILES

C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=CN(C4=N)[C@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(OP(=O)(O1)O)O)O)O)O)O

InChI

InChI=1S/C15H21N5O13P2/c16-12-7-13-18-4-19(12)14-10(23)8(21)5(31-14)1-29-34(25,26)33-35(27,28)30-2-6-9(22)11(24)15(32-6)20(13)3-17-7/h3-6,8-11,14-16,21-24H,1-2H2,(H,25,26)(H,27,28)/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1

synonyms
  • cyclic ADP-ribose
  • cADPR
  • 119340-53-3
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Properties
Property Value
MW 541.30 g/mol
HBD 7
HBA 16
Rotatable Bond Count 0
Exact Mass 541.06110974 g/mol
Monoisotopic Mass 541.06110974 g/mol
Heavy Atom Count 35
Isotope Atom Count 0
Atom Stereo Count 8
Covalent Unit Count 1
Complexity 989
xlogp -5.7
Topological Polar Surface Area 259