Mol:BMCCPUAPS501
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 36 39 0 0 1 0 0 0 0 0999 V2000 | + | 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 | + | 4.6272 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 | + | 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 | + | 3.2260 -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 | + | 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 | + | 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 | + | 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 | + | 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 | + | 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 | + | 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 | + | 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 | + | 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 -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 | + | 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 | + | 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 -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 | + | 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 | + | 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 | + | 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 | + | 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 | + | 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 | + | 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 | + | 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 | + | 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 | + | 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 | + | 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 | + | 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 | + | 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 | + | 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 | + | 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 | + | 7.9218 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 | + | 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 | + | 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 | + | 6.9437 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 | + | 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 | + | 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 | + | 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 9 1 1 0 0 0 |
| − | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
| − | 1 9 1 1 0 0 0 | + | 1 9 1 1 0 0 0 |
| − | 3 2 1 0 0 0 0 | + | 3 2 1 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 1 6 1 0 0 0 0 | + | 1 6 1 0 0 0 0 |
| − | 2 7 1 6 0 0 0 | + | 2 7 1 6 0 0 0 |
| − | 3 8 1 6 0 0 0 | + | 3 8 1 6 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 10 1 0 0 0 0 | + | 5 10 1 0 0 0 0 |
| − | 24 28 1 6 0 0 0 | + | 24 28 1 6 0 0 0 |
| − | 24 23 1 0 0 0 0 | + | 24 23 1 0 0 0 0 |
| − | 21 28 1 6 0 0 0 | + | 21 28 1 6 0 0 0 |
| − | 23 22 1 0 0 0 0 | + | 23 22 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 22 26 1 1 0 0 0 | + | 22 26 1 1 0 0 0 |
| − | 23 27 1 1 0 0 0 | + | 23 27 1 1 0 0 0 |
| − | 14 13 1 0 0 0 0 | + | 14 13 1 0 0 0 0 |
| − | 13 12 2 0 0 0 0 | + | 13 12 2 0 0 0 0 |
| − | 12 11 1 0 0 0 0 | + | 12 11 1 0 0 0 0 |
| − | 11 16 2 0 0 0 0 | + | 11 16 2 0 0 0 0 |
| − | 16 15 1 0 0 0 0 | + | 16 15 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 17 1 0 0 0 0 | + | 15 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 14 1 0 0 0 0 | + | 19 14 1 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 21 19 1 0 0 0 0 | + | 21 19 1 0 0 0 0 |
| − | 6 34 1 0 0 0 0 | + | 6 34 1 0 0 0 0 |
| − | 34 33 1 0 0 0 0 | + | 34 33 1 0 0 0 0 |
| − | 34 35 2 0 0 0 0 | + | 34 35 2 0 0 0 0 |
| − | 34 36 1 0 0 0 0 | + | 34 36 1 0 0 0 0 |
| − | 33 30 1 0 0 0 0 | + | 33 30 1 0 0 0 0 |
| − | 30 29 1 0 0 0 0 | + | 30 29 1 0 0 0 0 |
| − | 30 32 2 0 0 0 0 | + | 30 32 2 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 29 25 1 0 0 0 0 | + | 29 25 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMCCPUAPS501 | + | ID BMCCPUAPS501 |
| − | NAME ADP-1-ribose | + | NAME ADP-1-ribose |
| − | FORMULA C15H23N5O14P2 | + | FORMULA C15H23N5O14P2 |
| − | EXACTMASS 559.0716 | + | EXACTMASS 559.0716 |
| − | AVERAGEMASS 559.3159 | + | 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 | + | 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 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01882 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
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
