Cytosine kit

Accession Number : KLM0000098 This work is released into the public domain; please see our release statement.
Doug Markham has contributed a molecular mechanics computation of the structure! See below for the details.

MBS288865 | Rat DNA (cytosine-5)-methyltransferase 1 ELISA Kit
MBS2881969 | Human DNA (cytosine-5)-methyltransferase 1 ELISA Kit
MBS2886384 | Mouse DNA (cytosine-5)-methyltransferase 1 ELISA Kit
MBS2886401 | Bovine DNA (cytosine-5)-methyltransferase 1 ELISA Kit
MBS9310055 | Human DNA (cytosine-5) -methyltransferase 3A, DNMT3A ELISA Kit
MBS9317503 | Rat DNA (cytosine-5) -methyltransferase 3A, DNMT3A ELISA Kit
MBS9341189 | Mouse DNA (cytosine-5) -methyltransferase 1, DNMT1 ELISA Kit
MBS1601039 | Mouse DNA (cytosine-5)-methyltransferase 3A (DNMT3A) ELISA Kit
MBS1601324 | Mouse DNA (cytosine-5)-methyltransferase 1 (DNMT1) ELISA Kit
MBS1607409 | Human DNA, cytosine-5-methyltransferase 3B, DNMT3B ELISA Kit
MBS2801509 | Human DNA (cytosine-5)-methyltransferase 3A (DNMT3A) ELISA Kit
MBS3806221 | Mouse Methyl Cytosine Dioxygenase 1 ELISA Kit
MBS9911039 | Canine DNA (Cytosine-5)-Methyltransferase 3A (DNMT3A) ELISA Kit
MBS9911040 | Chicken DNA (Cytosine-5)-Methyltransferase 3A (DNMT3A) ELISA Kit
MBS9911042 | Cat DNA (Cytosine-5)-Methyltransferase 3A (DNMT3A) ELISA Kit
MBS9911044 | Donkey DNA (Cytosine-5)-Methyltransferase 3A (DNMT3A) ELISA Kit
MBS9911046 | Fish DNA (Cytosine-5)-Methyltransferase 3A (DNMT3A) ELISA Kit
MBS9911054 | Pigeon DNA (Cytosine-5)-Methyltransferase 3A (DNMT3A) ELISA Kit
MBS9911057 | Sheep DNA (Cytosine-5)-Methyltransferase 3A (DNMT3A) ELISA Kit
MBS9911052 | Monkey DNA (Cytosine-5)-Methyltransferase 3A (DNMT3A) ELISA Kit

Config Rule :

 

% cytosine


config(cytosine,[
        ring([
                nit(1,hyd)&,
                car(2,oxy?)&,
                nit(3)&,
                car(4,amine(7))&,
                car(5,hyd)&,
                car(6,hyd)&])]).

Smiles String :

 

[c]1([cH][cH][nH][c]([n]1)[O-])[NH2]

cytosine

Terminal :

% cytosine

c(2,12,(0,nonchiral))-[o(1,nil)?,n(1,flat)&,n(3,flat)&],
c(4,12,(0,nonchiral))-[n(7,nil)~,n(3,flat)&,c(5,flat)&],
c(5,12,(0,nonchiral))-[h(4,nil)~,c(4,flat)&,c(6,flat)&],
c(6,12,(0,nonchiral))-[h(5,nil)~,c(5,flat)&,n(1,flat)&],
h(1,1,(0,nonchiral))-[n(1,nil)~],
h(2,1,(0,nonchiral))-[n(7,nil)~],
h(3,1,(0,nonchiral))-[n(7,nil)~],
h(4,1,(0,nonchiral))-[c(5,nil)~],
h(5,1,(0,nonchiral))-[c(6,nil)~],
n(1,14,(0,nonchiral))-[h(1,nil)~,c(6,flat)&,c(2,flat)&],
n(3,14,(0,nonchiral))-[c(4,flat)&,c(2,flat)&],
n(7,14,(0,nonchiral))-[h(2,nil)~,h(3,nil)~,c(4,nil)~],
o(1,16,(0,nonchiral))-[c(2,nil)?]

The Terminals for all the Config Rules are in Prolog Definite Clause Grammar (DCG) form.They can be checked in the Manual here.

The compound's PDB file can be seen here.

Doug Markham of the Institute for Cancer Research, Fox Chase Cancer Center,Philadelphia, PA, has contributed the following structure for cytosine. He computed this structure in sdf format using MacroModel, a molecular mechanics program. We have used Babel to convert the .sdf format to PDB format. You'll find it interesting to compare these structures to those computed using CONCORD.

Many thanks Doug!