Mol:BMCCPUAP0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 25 0 0 1 0 0 0 0 0999 V2000
3.7321 3.3909 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.8909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.8909 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.3909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.8909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.8909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1229 1.2217 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5296 0.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5241 0.4127 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.3909 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1933 -0.3304 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.1878 -0.2259 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.5945 -1.1394 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.8514 -1.8086 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.9559 -2.8031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9309 0.4432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5891 -1.0349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9854 -1.3086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1469 -3.3909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7970 -0.0568 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
7.7751 -0.2647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2970 0.8093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4 5 2 0 0 0 0
4 3 1 0 0 0 0
8 7 2 0 0 0 0
14 18 1 1 0 0 0
14 15 1 0 0 0 0
5 6 1 0 0 0 0
15 19 1 0 0 0 0
3 2 2 0 0 0 0
6 1 2 0 0 0 0
6 10 1 0 0 0 0
5 7 1 0 0 0 0
13 14 1 0 0 0 0
12 13 1 0 0 0 0
2 1 1 0 0 0 0
11 9 1 0 0 0 0
9 4 1 0 0 0 0
9 8 1 0 0 0 0
17 20 1 0 0 0 0
20 16 1 0 0 0 0
12 16 1 6 0 0 0
13 17 1 6 0 0 0
12 11 1 0 0 0 0
20 22 1 0 0 0 0
11 18 1 1 0 0 0
20 21 2 0 0 0 0
S SKP 7
ID BMCCPUAP0003
NAME 2',3'-Cyclic AMP
FORMULA C10H12N5O6P
EXACTMASS 329.0525
AVERAGEMASS 329.2061
SMILES OC[C@@H](O1)[C@@H](O4)[C@@H](OP(O)(=O)4)[C@@H]1n(c3)c(n2)c(n3)c(N)nc2
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02353
M END
