NADH – nicotinamide adenine dinucleotide, reduced

Name
WID NADH View in model
Name nicotinamide adenine dinucleotide, reduced View in model
Traditional name [5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl ({[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphonato}oxy)phosphonate
IUPAC name [5-(3-carbamoyl-1,4-dihydropyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl ({[5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphonato}oxy)phosphonate
Cross references ChEBI: 16908, PubChem: 3306, ThreeDMET: B01127, KEGG: C00004, BioCyc: NADH, ... 2 more
 
Classification
Type vitamin_redox_electron_carrier View in model
 
Structure
Empirical formula (pH 7.5) H27C21N7O14P2
SMILES (pH 7.5) C(OP(=O)([O-])OP(=O)(OCC1(C(O)C(O)C(O1)N3(C2(C(=C(N)N=CN=2)N=C3))))[O-])C4(C(O)C(C(O4)N5(C=C(C(N)=O)CC=C5))O)
Charge (pH 7.5) -2
Is hydrophobic False View in model
Molecular weight (Da) 663.42 View in model
van der Waals volume 
(pH 7.5; Å3 molecule‑1)
504.16
ΔfG'o (pH 7.5, 25C, I = 0; kJ mol‑1) 1191.10
pI 3.64
logP -6.67
logD (pH 7.5) -8.58
 
Concentrations
Biomass composition (SP4 media, 
5% CO2, 37C; mmol gDCW‑1)
  • 0.000241223 [c]

View in model
 
Function
Reaction participant View in model
 
Metadata
Created 2012-10-01 15:07:04
Last updated 2012-10-01 15:12:23