glchm5CSN – beta-D-glucosylhydroxymethylcytosine

Name
WID glchm5CSN View in model
Name beta-D-glucosylhydroxymethylcytosine View in model
Traditional name 4-amino-5-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-1H-pyrimidin-2-one
IUPAC name 4-amino-5-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-1,2-dihydropyrimidin-2-one
 
Classification
Type modified_nucleobase View in model
 
Structure
Empirical formula (pH 7.5) H17C11N3O7
SMILES (pH 7.5) N1C=C(C(=NC1=O)N)COC2C(C(C(C(O2)CO)O)O)O
Charge (pH 7.5) 0
Is hydrophobic False View in model
Molecular weight (Da) 303.27 View in model
van der Waals volume 
(pH 7.5; Å3 molecule‑1)
252.59
pI 10.79
logP -3.89
logD (pH 7.5) -3.90
 
Function
Reaction participant DNA base glucosyl transfer (5'-hydroxymethylcytosine ==> beta-D-glucosylhydroxymethylcytosine; glucose)
[c]: GLC + hm5CSNglchm5CSN + H2O
View in model
 
Metadata
Created 2012-10-01 15:06:59
Last updated 2012-10-01 15:12:12