cyclobutane_CSNCSN – cyclobutane cytosine dimer

Name
WID cyclobutane_CSNCSN View in model
Name cyclobutane cytosine dimer View in model
Traditional name 4,5-diamino-1,4a,4b,8,8a,8b-hexahydro-1,3,6,8-tetraazabiphenylene-2,7-dione
IUPAC name 4,5-diamino-1,2,4a,4b,7,8,8a,8b-octahydro-1,3,6,8-tetraazabiphenylene-2,7-dione
 
Classification
Type modified_nucleobase View in model
 
Structure
Empirical formula (pH 7.5) H10C8N6O2
SMILES (pH 7.5) N1C2C(C(=NC1=O)N)C3C2NC(N=C3N)=O
Charge (pH 7.5) 0
Is hydrophobic False View in model
Molecular weight (Da) 222.20 View in model
van der Waals volume 
(pH 7.5; Å3 molecule‑1)
172.81
pI 7.38
logP -3.51
logD (pH 7.5) -3.51
 
Function
Reaction participant DNA photodimerization (2'-deoxycytidine-p-2'-deoxycytidine ==> cyclobutane 2'-deoxycytidine dimer; UV-B)
(2) CSN[c] + UVB_radiation[e] ⇒ cyclobutane_CSNCSN[c]
View in model
 
Metadata
Created 2012-10-01 15:06:52
Last updated 2012-10-01 15:11:59