NAD – nicotinamide adenine dinucleotide, oxidized

Name
WID NAD View in model
Name nicotinamide adenine dinucleotide, oxidized View in model
Traditional name 1-[5-({[({[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphonato}oxy)phosphinato]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]-3-carbamoyl-1$l^{5}-pyridin-1-ylium
IUPAC name 1-[5-({[({[5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphonato}oxy)phosphinato]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]-3-carbamoyl-1$l^{5}-pyridin-1-ylium
Cross references ChEBI: 15846, PubChem: 3305, CAS: 53-84-9, ThreeDMET: B01126, KEGG: C00003, ... 4 more
 
Classification
Type vitamin_redox_electron_carrier View in model
 
Structure
Empirical formula (pH 7.5) H26C21N7O14P2
SMILES (pH 7.5) NC(=O)C1=CC=C[N+](=C1)C1OC(COP([O-])(=O)OP([O-])(=O)OCC2OC(C(O)C2O)N2C=NC3=C2N=CN=C3N)C(O)C1O
Charge (pH 7.5) -1
Is hydrophobic False View in model
Molecular weight (Da) 662.42 View in model
van der Waals volume 
(pH 7.5; Å3 molecule‑1)
502.83
ΔfG'o (pH 7.5, 25C, I = 0; kJ mol‑1) 1127.80
pI 2.91
logP -10.62
logD (pH 7.5) -11.72
 
Concentrations
Biomass composition (SP4 media, 
5% CO2, 37C; mmol gDCW‑1)
  • 0.00964892 [c]

View in model
Media composition (SP4; mM) 0.00528 View in model
 
Function
Coenzyme UDPglucose 4-epimerase
[c]: UDPGALUDPG
View in model
Reaction participant View in model
 
Metadata
Created 2012-10-01 15:07:04
Last updated 2012-10-01 15:12:23