Mol:BMCCPUAPS501
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
36 39 0 0 1 0 0 0 0 0999 V2000
4.6272 0.0355 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.2205 -0.8780 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.2260 -0.7735 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.0181 0.2047 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.1045 0.6114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6054 -0.1724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7205 -1.7440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5569 -1.5166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8841 0.7047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.6059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.4097 -3.0970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.5437 -2.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5437 -1.5970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
12.4097 -1.0970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2757 -1.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2757 -2.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.0189 -0.9279 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
13.6121 -0.0143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.6176 -0.1188 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
14.1418 -3.0970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.9485 0.6243 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
12.1564 1.6025 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
11.2904 2.1025 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
10.5472 1.4333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
9.5691 1.6412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.0699 2.0092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.1858 3.0970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.9540 0.5198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.8999 0.8981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.9218 1.1060 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
7.7139 0.1279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1297 2.0842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9437 1.3139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2745 0.5708 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
7.0177 -0.0984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5314 1.2399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4 9 1 1 0 0 0
4 3 1 0 0 0 0
1 9 1 1 0 0 0
3 2 1 0 0 0 0
1 2 1 0 0 0 0
1 6 1 0 0 0 0
2 7 1 6 0 0 0
3 8 1 6 0 0 0
4 5 1 0 0 0 0
5 10 1 0 0 0 0
24 28 1 6 0 0 0
24 23 1 0 0 0 0
21 28 1 6 0 0 0
23 22 1 0 0 0 0
21 22 1 0 0 0 0
24 25 1 0 0 0 0
22 26 1 1 0 0 0
23 27 1 1 0 0 0
14 13 1 0 0 0 0
13 12 2 0 0 0 0
12 11 1 0 0 0 0
11 16 2 0 0 0 0
16 15 1 0 0 0 0
14 15 2 0 0 0 0
15 17 1 0 0 0 0
17 18 2 0 0 0 0
18 19 1 0 0 0 0
19 14 1 0 0 0 0
16 20 1 0 0 0 0
21 19 1 0 0 0 0
6 34 1 0 0 0 0
34 33 1 0 0 0 0
34 35 2 0 0 0 0
34 36 1 0 0 0 0
33 30 1 0 0 0 0
30 29 1 0 0 0 0
30 32 2 0 0 0 0
30 31 1 0 0 0 0
29 25 1 0 0 0 0
S SKP 7
ID BMCCPUAPS501
NAME ADP-1-ribose
FORMULA C15H23N5O14P2
EXACTMASS 559.0716
AVERAGEMASS 559.3159
SMILES OC[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H]1OP(O)(=O)OP(O)(=O)OC[C@@H](O2)[C@@H](O)[C@@H](O)[C@@H]2n(c4)c(n3)c(n4)c(N)nc3
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01882
M END
