epsilon1N6AD – 1,N6-etheno-adenine
| Name | ||
|---|---|---|
| WID | epsilon1N6AD |
|
| Name | 1,N6-etheno-adenine |
|
| Traditional name | 3H-imidazo[2,1-f]purine | |
| IUPAC name | 3H-imidazo[2,1-f]purine | |
| Cross references | ChEBI: 29146, PubChem: 8146699, BioCyc: CPD0-1927 | |
| Classification | ||
| Type | modified_nucleobase |
|
| Structure | ||
| Empirical formula (pH 7.5) | H5C7N5 | |
| SMILES (pH 7.5) | N1C=NC2=C1N=CN1C=CN=C21 | |
| Charge (pH 7.5) | 0 | |
| Is hydrophobic | False |
|
| Molecular weight (Da) | 159.15 |
|
| van der Waals volume (pH 7.5; Å3 molecule‑1) |
123.69 | |
| pI | 7.03 | |
| logP | -0.790 | |
| logD (pH 7.5) | -0.810 | |
| Function | ||
| Reaction participant | DNA base alkylation (adenine ==> 1,N6-etheno-adenine; chloroethylene oxide) [c]: AD + chloroethylene_oxide ⇒ CL + epsilon1N6AD + (2) H + OH |
|
| Metadata | ||
| Created | 2012-10-01 15:06:56 | |
| Last updated | 2012-10-01 15:12:07 | |
