epsilon1N2GN – 1,N2-etheno-guanine
| Name | ||
|---|---|---|
| WID | epsilon1N2GN |
|
| Name | 1,N2-etheno-guanine |
|
| Traditional name | 3H,4H-imidazo[1,2-a]purin-9-one | |
| IUPAC name | 3H,4H,9H-imidazo[1,2-a]purin-9-one | |
| Cross references | PubChem: 24506279, CAS: 56287-13-9 | |
| Classification | ||
| Type | modified_nucleobase |
|
| Structure | ||
| Empirical formula (pH 7.5) | H5C7N5O1 | |
| SMILES (pH 7.5) | O=C1N2C=CN=C2NC2=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) |
131.35 | |
| pI | 6.83 | |
| logP | 0.840 | |
| logD (pH 7.5) | 0.840 | |
| Function | ||
| Reaction participant | DNA base alkylation (guanine ==> 1,N2-etheno-guanine; chloroethylene oxide) [c]: chloroethylene_oxide + GN ⇒ CL + epsilon1N2GN + (2) H + OH |
|
| Metadata | ||
| Created | 2012-10-01 15:06:56 | |
| Last updated | 2012-10-01 15:12:07 | |
