DPCOA – dephospho-CoA
| Name | ||
|---|---|---|
| WID | DPCOA |
|
| Name | dephospho-CoA |
|
| Traditional name | [3-hydroxy-2,2-dimethyl-3-({2-[(2-sulfanylethyl)carbamoyl]ethyl}carbamoyl)propyl] ({[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-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)-3,4-dihydroxyoxolan-2-yl]methyl phosphonato}oxy)phosphonate | |
| Cross references | ChEBI: 15468, PubChem: 4138, ThreeDMET: B04743, KEGG: C00882, PDBCCD: COD, | |
| Classification | ||
| Type | CoA_derivative |
|
| Structure | ||
| Empirical formula (pH 7.5) | H33C21N7O13P2S1 | |
| SMILES (pH 7.5) | CC(C)(COP([O-])(=O)OP([O-])(=O)OCC1OC(C(O)C1O)N1C=NC2=C1N=CN=C2N)C(O)C(=O)NCCC(=O)NCCS | |
| Charge (pH 7.5) | -2 | |
| Is hydrophobic | False |
|
| Molecular weight (Da) | 685.54 |
|
| van der Waals volume (pH 7.5; Å3 molecule‑1) |
544.34 | |
| ΔfG'o (pH 7.5, 25C, I = 0; kJ mol‑1) | -812.10 | |
| pI | 2.92 | |
| logP | -6.10 | |
| logD (pH 7.5) | -8.02 | |
| Function | ||
| Reaction participant | dephospho-CoA kinase [c]: ATP + DPCOA ⇒ ADP + COA + H |
|
| Metadata | ||
| Created | 2012-10-01 15:06:54 | |
| Last updated | 2012-10-01 15:12:03 | |
