cyclobutane_THYTHY – cyclobutane thymine dimer

Name
WID cyclobutane_THYTHY View in model
Name cyclobutane thymine dimer View in model
Traditional name 4a,4b-dimethyl-hexahydro-1,3,6,8-tetraazabiphenylene-2,4,5,7-tetrone
IUPAC name 4a,4b-dimethyl-dodecahydro-1,3,6,8-tetraazabiphenylene-2,4,5,7-tetrone
Cross references PubChem: 24610583
 
Classification
Type modified_nucleobase View in model
 
Structure
Empirical formula (pH 7.5) H12C10N4O4
SMILES (pH 7.5) CC13C(C2C1(C(=O)NC(=O)N2)C)NC(=O)NC3=O
Charge (pH 7.5) 0
Is hydrophobic False View in model
Molecular weight (Da) 252.23 View in model
van der Waals volume 
(pH 7.5; Å3 molecule‑1)
202.57
logP -1.63
logD (pH 7.5) -1.66
 
Function
Reaction participant DNA photodimerization (2'-deoxythymidine-p-2'-deoxythymidine ==> cyclobutane 2'-deoxythymidine dimer; UV-B)
(2) THY[c] + UVB_radiation[e] ⇒ cyclobutane_THYTHY[c]
View in model
 
Metadata
Created 2012-10-01 15:06:53
Last updated 2012-10-01 15:11:59