epsilonN23GN – N2,3-etheno-guanine
| Name | ||
|---|---|---|
| WID | epsilonN23GN |
|
| Name | N2,3-etheno-guanine |
|
| Traditional name | 1H,5H-imidazo[2,1-b]purin-4-one | |
| IUPAC name | 1H,4H,5H-imidazo[2,1-b]purin-4-one | |
| Cross references | PubChem: 24520287, CAS: 56287-13-9 | |
| Classification | ||
| Type | modified_nucleobase |
|
| Structure | ||
| Empirical formula (pH 7.5) | H5C7N5O1 | |
| SMILES (pH 7.5) | O=C1NC2=NC=CN2C2=C1N=CN2 | |
| Charge (pH 7.5) | 0 | |
| Is hydrophobic | False |
|
| Molecular weight (Da) | 175.15 |
|
| van der Waals volume (pH 7.5; Å3 molecule‑1) |
131.23 | |
| pI | 5.97 | |
| logP | -0.970 | |
| logD (pH 7.5) | -0.970 | |
| Function | ||
| Reaction participant | DNA base alkylation (guanine ==> N2,3-etheno-guanine; chloroethylene oxide) [c]: chloroethylene_oxide + GN ⇒ CL + epsilonN23GN + (2) H + OH |
|
| Metadata | ||
| Created | 2012-10-01 15:06:57 | |
| Last updated | 2012-10-01 15:12:08 | |
