flavin semiquinone

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 26
Total Number of Articles : 33
PubChem 122171
Molecular Formula

C17H19N4O6-

SMILES

CC1=CC2=C(C=C1C)N(C3=NC(=NC(=O)C3=N2)[O-])CC(C(C(CO)O)O)O

InChI

InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/p-1

synonyms
  • Fad semiquinone
  • 35919-91-6
  • flavin semiquinone
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Properties
Property Value
MW 375.4 g/mol
HBD 4
HBA 7
Rotatable Bond Count 5
Exact Mass 375.13045934 g/mol
Monoisotopic Mass 375.13045934 g/mol
Heavy Atom Count 27
Isotope Atom Count 0
Atom Stereo Count 3
Covalent Unit Count 1
Complexity 693
xlogp -0.5
Topological Polar Surface Area 161