Flavin-Adenine Dinucleotide

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 379
Total Number of Articles : 833
PubChem 643975
Molecular Formula

C27H33N9O15P2

SMILES

CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C(N=CN=C65)N)O)O)O)O)O

InChI

InChI=1S/C27H33N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)/t14-,15+,16+,19-,20+,21+,26+/m0/s1

synonyms
  • flavin adenine dinucleotide
  • 146-14-5
  • Flavin-adenine dinucleotide
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Properties
Property Value
MW 785.5 g/mol
HBD 9
HBA 20
Rotatable Bond Count 13
Exact Mass 785.15713538 g/mol
Monoisotopic Mass 785.15713538 g/mol
Heavy Atom Count 53
Isotope Atom Count 0
Atom Stereo Count 7
Covalent Unit Count 1
Complexity 1560
xlogp -5
Topological Polar Surface Area 356