FAD – flavin adenine dinucleotide, oxidized

Name
WID FAD View in model
Name flavin adenine dinucleotide, oxidized View in model
Traditional name (5-{7,8-dimethyl-2,4-dioxo-3H-benzo[g]pteridin-10-yl}-2,3,4-trihydroxypentyl) ({[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphonato}oxy)phosphonate
IUPAC name (5-{7,8-dimethyl-2,4-dioxo-2H,3H,4H,10H-benzo[g]pteridin-10-yl}-2,3,4-trihydroxypentyl) ({[5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphonato}oxy)phosphonate
Cross references CAS: 146-14-5, ChEBI: 16238, PubChem: 3318, ThreeDMET: B04619, KNApSAcK: C00001500, ... 4 more
 
Classification
Type vitamin_redox_electron_carrier View in model
 
Structure
Empirical formula (pH 7.5) H31C27N9O15P2
SMILES (pH 7.5) CC1=C(C)C=C2N(CC(O)C(O)C(O)COP([O-])(=O)OP([O-])(=O)OCC3OC(C(O)C3O)N3C=NC4=C(N)N=CN=C34)C3=NC(=O)NC(=O)C3=NC2=C1
Charge (pH 7.5) -2
Is hydrophobic False View in model
Molecular weight (Da) 783.53 View in model
van der Waals volume 
(pH 7.5; Å3 molecule‑1)
604.03
ΔfG'o (pH 7.5, 25C, I = 0; kJ mol‑1) 1411.70
pI 2.91
logP -5.50
logD (pH 7.5) -7.82
 
Concentrations
Biomass composition (SP4 media, 
5% CO2, 37C; mmol gDCW‑1)
  • 0.00120612 [c]

View in model
Media composition (SP4; mM) 0.0000676 View in model
 
Function
Coenzyme View in model
Reaction participant View in model
 
Metadata
Created 2012-10-01 15:06:57
Last updated 2012-10-01 15:12:08