COA – coenzyme A

Name
WID COA View in model
Name coenzyme A View in model
Traditional name [3-hydroxy-2,2-dimethyl-3-({2-[(2-sulfanylethyl)carbamoyl]ethyl}carbamoyl)propyl] ({[5-(6-aminopurin-9-yl)-4-hydroxy-3-(phosphonatooxy)oxolan-2-yl]methyl phosphonato}oxy)phosphonate
IUPAC name [3-hydroxy-2,2-dimethyl-3-({2-[(2-sulfanylethyl)carbamoyl]ethyl}carbamoyl)propyl] ({[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonatooxy)oxolan-2-yl]methyl phosphonato}oxy)phosphonate
Cross references ChEBI: 15346, PubChem: 3312, CAS: 85-61-0, ThreeDMET: B04618, KNApSAcK: C00007258, ... 4 more
 
Classification
Type vitamin View in model
 
Structure
Empirical formula (pH 7.5) H32C21N7O16P3S1
SMILES (pH 7.5) CC(C)(COP([O-])(=O)OP([O-])(=O)OCC1OC(C(O)C1OP([O-])([O-])=O)N1C=NC2=C1N=CN=C2N)C(O)C(=O)NCCC(=O)NCCS
Charge (pH 7.5) -4
Is hydrophobic False View in model
Molecular weight (Da) 763.50 View in model
van der Waals volume 
(pH 7.5; Å3 molecule‑1)
584.08
ΔfG'o (pH 7.5, 25C, I = 0; kJ mol‑1) -1701.30
pI 2.12
logP -7.00
logD (pH 7.5) -11.81
 
Concentrations
Biomass composition (SP4 media, 
5% CO2, 37C; mmol gDCW‑1)
  • 0.000904586 [c]

View in model
Media composition (SP4; mM) 0.0016372 (diffused) View in model
 
Function
Complex subunit
Reaction participant View in model
 
Comments
Comments Incubator provides 5% CO2 = 38 mmHg. Equilbrium constant of solvation is 29.41 L*atm/mol [PUB_0171].
References
  1. . Wikipedia. (2009). WholeCell: PUB_0171, URL: http://en.wikipedia.org/

 
Metadata
Created 2012-10-01 15:06:52
Last updated 2012-10-01 15:11:58