epsilonN23GN – N2,3-etheno-guanine

Name
WID epsilonN23GN View in model
Name N2,3-etheno-guanine View in model
Traditional name 1H,5H-imidazo[2,1-b]purin-4-one
IUPAC name 1H,4H,5H-imidazo[2,1-b]purin-4-one
Cross references PubChem: 24520287, CAS: 56287-13-9
 
Classification
Type modified_nucleobase View in model
 
Structure
Empirical formula (pH 7.5) H5C7N5O1
SMILES (pH 7.5) O=C1NC2=NC=CN2C2=C1N=CN2
Charge (pH 7.5) 0
Is hydrophobic False View in model
Molecular weight (Da) 175.15 View in model
van der Waals volume 
(pH 7.5; Å3 molecule‑1)
131.23
pI 5.97
logP -0.970
logD (pH 7.5) -0.970
 
Function
Reaction participant DNA base alkylation (guanine ==> N2,3-etheno-guanine; chloroethylene oxide)
[c]: chloroethylene_oxide + GNCL + epsilonN23GN + (2) H + OH
View in model
 
Metadata
Created 2012-10-01 15:06:57
Last updated 2012-10-01 15:12:08