NAADP

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 100
Total Number of Articles : 181
PubChem 123952
Molecular Formula

C21H27N6O18P3

SMILES

C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)OP(=O)(O)O)O)O)O)C(=O)O

InChI

InChI=1S/C21H27N6O18P3/c22-17-12-18(24-7-23-17)27(8-25-12)20-16(44-46(33,34)35)14(29)11(43-20)6-41-48(38,39)45-47(36,37)40-5-10-13(28)15(30)19(42-10)26-3-1-2-9(4-26)21(31)32/h1-4,7-8,10-11,13-16,19-20,28-30H,5-6H2,(H6-,22,23,24,31,32,33,34,35,36,37,38,39)/t10-,11-,13-,14-,15-,16-,19-,20-/m1/s1

synonyms
  • 5502-96-5
  • NAADP
  • Nicotinate adenine dinucleotide phosphate
Click to show/hide the synonyms
Properties
Property Value
MW 744.4 g/mol
HBD 8
HBA 22
Rotatable Bond Count 13
Exact Mass 744.05946903 g/mol
Monoisotopic Mass 744.05946903 g/mol
Heavy Atom Count 48
Isotope Atom Count 0
Atom Stereo Count 8
Covalent Unit Count 1
Complexity 1290
xlogp -6.5
Topological Polar Surface Area 362