epsilon1N2GN – 1,N2-etheno-guanine

Name
WID epsilon1N2GN View in model
Name 1,N2-etheno-guanine View in model
Traditional name 3H,4H-imidazo[1,2-a]purin-9-one
IUPAC name 3H,4H,9H-imidazo[1,2-a]purin-9-one
Cross references PubChem: 24506279, CAS: 56287-13-9
 
Classification
Type modified_nucleobase View in model
 
Structure
Empirical formula (pH 7.5) H5C7N5O1
SMILES (pH 7.5) O=C1N2C=CN=C2NC2=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)
131.35
pI 6.83
logP 0.840
logD (pH 7.5) 0.840
 
Function
Reaction participant DNA base alkylation (guanine ==> 1,N2-etheno-guanine; chloroethylene oxide)
[c]: chloroethylene_oxide + GNCL + epsilon1N2GN + (2) H + OH
View in model
 
Metadata
Created 2012-10-01 15:06:56
Last updated 2012-10-01 15:12:07