Mol:BMMCPYCT0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
20 22 0 0 1 0 0 0 0 0999 V2000
3.5000 0.8583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.0000 1.7244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5000 2.5904 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 2.5904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.7244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 0.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0000 1.7244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.4564 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.0000 -0.0077 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.9945 -0.1122 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.2024 -1.0904 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.3364 -1.5904 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.3364 -2.5904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6637 0.6309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0685 -1.5904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5933 -0.9212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2024 -3.0904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0685 -2.5904 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
6.5685 -3.4564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.0685 -2.5904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
2 7 2 0 0 0 0
4 8 1 0 0 0 0
9 1 1 0 0 0 0
1 2 1 0 0 0 0
11 12 1 0 0 0 0
10 9 1 0 0 0 0
9 16 1 1 0 0 0
10 11 1 0 0 0 0
12 16 1 1 0 0 0
10 14 1 6 0 0 0
12 13 1 0 0 0 0
13 17 1 0 0 0 0
17 18 1 0 0 0 0
18 15 1 0 0 0 0
11 15 1 6 0 0 0
18 19 2 0 0 0 0
18 20 1 0 0 0 0
S SKP 7
ID BMMCPYCT0004
NAME 3',5'-Cyclic CMP
FORMULA C9H12N3O7P
EXACTMASS 305.0412
AVERAGEMASS 305.1813
SMILES NC(C=3)=NC(=O)N(C3)[C@H](O1)[C@H](O)[C@H](O2)[C@@H](COP(O)(=O)2)1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00941
M END
