epsilon3N4CSN – 3,N4-etheno-cytosine
| Name | ||
|---|---|---|
| WID | epsilon3N4CSN |
|
| Name | 3,N4-etheno-cytosine |
|
| Traditional name | 6H-imidazo[1,2-c]pyrimidin-5-one | |
| IUPAC name | 5H,6H-imidazo[1,2-c]pyrimidin-5-one | |
| Cross references | ChEBI: 551784, PubChem: 87254954, BioCyc: CPD0-1931 | |
| Classification | ||
| Type | modified_nucleobase |
|
| Structure | ||
| Empirical formula (pH 7.5) | H5C6N3O1 | |
| SMILES (pH 7.5) | N2C=CC1=NC=C[N]1C2=O | |
| Charge (pH 7.5) | 0 | |
| Is hydrophobic | False |
|
| Molecular weight (Da) | 135.12 |
|
| van der Waals volume (pH 7.5; Å3 molecule‑1) |
108.62 | |
| pI | 5.49 | |
| logP | -0.0700 | |
| logD (pH 7.5) | -0.0700 | |
| Function | ||
| Reaction participant | DNA base alkylation (cytosine ==> 3,N4-etheno-cytosine; chloroethylene oxide) [c]: chloroethylene_oxide + CSN ⇒ CL + epsilon3N4CSN + (2) H + OH |
|
| Metadata | ||
| Created | 2012-10-01 15:06:56 | |
| Last updated | 2012-10-01 15:12:07 | |
