oxoethyl7GN – 7-(2'-oxoethyl)-guanine

Name
WID oxoethyl7GN View in model
Name 7-(2'-oxoethyl)-guanine View in model
Traditional name 2-amino-6-oxo-7-(2-oxoethyl)-3,9-dihydropurin-7-ium
IUPAC name 2-amino-6-oxo-7-(2-oxoethyl)-6,9-dihydro-3H-purin-7-ium
 
Classification
Type modified_nucleobase View in model
 
Structure
Empirical formula (pH 7.5) H8C7N5O2
SMILES (pH 7.5) [N]1C=[N](C2=C1NC(=NC2=O)N)CC=O
Charge (pH 7.5) -1
Is hydrophobic False View in model
Molecular weight (Da) 194.17 View in model
van der Waals volume 
(pH 7.5; Å3 molecule‑1)
153.63
pI 4.42
logP -5.32
logD (pH 7.5) -7.51
 
Function
Reaction participant DNA base alkylation (guanine ==> 7-(2'-oxoethyl)-guanine; chloroethylene oxide)
[c]: chloroethylene_oxide + GNCL + oxoethyl7GN
View in model
 
Metadata
Created 2012-10-01 15:07:05
Last updated 2012-10-01 15:12:27