epsilon1N2GN – 1,N2-etheno-guanine
Name | ||
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WID | epsilon1N2GN |
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Name | 1,N2-etheno-guanine |
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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 |
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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 |
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Molecular weight (Da) | 175.15 |
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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 + GN ⇒ CL + epsilon1N2GN + (2) H + OH |
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Metadata | ||
Created | 2012-10-01 15:06:56 | |
Last updated | 2012-10-01 15:12:07 |