oxoethyl7GN – 7-(2'-oxoethyl)-guanine
| Name | ||
|---|---|---|
| WID | oxoethyl7GN |
|
| Name | 7-(2'-oxoethyl)-guanine |
|
| Traditional name | 2-amino-6-oxo-7-(2-oxoethyl)-3,9-dihydropurin-7-ium | |
| IUPAC name | 2-amino-6-oxo-7-(2-oxoethyl)-6,9-dihydro-3H-purin-7-ium | |
| Classification | ||
| Type | modified_nucleobase |
|
| Structure | ||
| Empirical formula (pH 7.5) | H8C7N5O2 | |
| SMILES (pH 7.5) | [N]1C=[N](C2=C1NC(=NC2=O)N)CC=O | |
| Charge (pH 7.5) | -1 | |
| Is hydrophobic | False |
|
| Molecular weight (Da) | 194.17 |
|
| van der Waals volume (pH 7.5; Å3 molecule‑1) |
153.63 | |
| pI | 4.42 | |
| logP | -5.32 | |
| logD (pH 7.5) | -7.51 | |
| Function | ||
| Reaction participant | DNA base alkylation (guanine ==> 7-(2'-oxoethyl)-guanine; chloroethylene oxide) [c]: chloroethylene_oxide + GN ⇒ CL + oxoethyl7GN |
|
| Metadata | ||
| Created | 2012-10-01 15:07:05 | |
| Last updated | 2012-10-01 15:12:27 | |
