cyclobutane_THYCSN – cyclobutane thymine cytosine
| Name | ||
|---|---|---|
| WID | cyclobutane_THYCSN |
|
| Name | cyclobutane thymine cytosine |
|
| Traditional name | 5-amino-4a-methyl-1,3,4b,8,8a,8b-hexahydro-1,3,6,8-tetraazabiphenylene-2,4,7-trione | |
| IUPAC name | 5-amino-4a-methyl-1,2,3,4,4a,4b,7,8,8a,8b-decahydro-1,3,6,8-tetraazabiphenylene-2,4,7-trione | |
| Classification | ||
| Type | modified_nucleobase |
|
| Structure | ||
| Empirical formula (pH 7.5) | H11C9N5O3 | |
| SMILES (pH 7.5) | CC12C(NC(=O)NC1=O)C3NC(N=C(C23)N)=O | |
| Charge (pH 7.5) | 0 | |
| Is hydrophobic | False |
|
| Molecular weight (Da) | 237.21 |
|
| van der Waals volume (pH 7.5; Å3 molecule‑1) |
187.78 | |
| pI | 5.91 | |
| logP | -2.57 | |
| logD (pH 7.5) | -2.58 | |
| Function | ||
| Reaction participant | DNA photodimerization (2'-deoxythymidine-p-2'-deoxycytidine ==> cyclobutane 2'-deoxythymidine 2'-deoxycytidine; UV-B) CSN[c] + THY[c] + UVB_radiation[e] ⇒ cyclobutane_THYCSN[c] |
|
| Metadata | ||
| Created | 2012-10-01 15:06:53 | |
| Last updated | 2012-10-01 15:11:59 | |
