cyclobutane_THYCSN – cyclobutane thymine cytosine

Name
WID cyclobutane_THYCSN View in model
Name cyclobutane thymine cytosine View in model
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 View in model
 
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 View in model
Molecular weight (Da) 237.21 View in model
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]
View in model
 
Metadata
Created 2012-10-01 15:06:53
Last updated 2012-10-01 15:11:59