epsilon1N6AD – 1,N6-etheno-adenine

Name
WID epsilon1N6AD View in model
Name 1,N6-etheno-adenine View in model
Traditional name 3H-imidazo[2,1-f]purine
IUPAC name 3H-imidazo[2,1-f]purine
Cross references ChEBI: 29146, PubChem: 8146699, BioCyc: CPD0-1927
 
Classification
Type modified_nucleobase View in model
 
Structure
Empirical formula (pH 7.5) H5C7N5
SMILES (pH 7.5) N1C=NC2=C1N=CN1C=CN=C21
Charge (pH 7.5) 0
Is hydrophobic False View in model
Molecular weight (Da) 159.15 View in model
van der Waals volume 
(pH 7.5; Å3 molecule‑1)
123.69
pI 7.03
logP -0.790
logD (pH 7.5) -0.810
 
Function
Reaction participant DNA base alkylation (adenine ==> 1,N6-etheno-adenine; chloroethylene oxide)
[c]: AD + chloroethylene_oxideCL + epsilon1N6AD + (2) H + OH
View in model
 
Metadata
Created 2012-10-01 15:06:56
Last updated 2012-10-01 15:12:07