Mol:BMCCPUAPS503
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
40 43 0 0 1 0 0 0 0 0999 V2000
4.6272 -0.4151 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.2205 -1.3286 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.2260 -1.2241 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.0181 -0.2460 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.1045 0.1608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6054 -0.6230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7205 -2.1947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5569 -1.9673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8841 0.2540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.1553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.4097 -3.5476 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.5437 -3.0476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5437 -2.0476 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
12.4097 -1.5476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2757 -2.0476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2757 -3.0476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.0189 -1.3785 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
13.6121 -0.4649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.6176 -0.5695 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
14.1418 -3.5476 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.9485 0.1737 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
12.1564 1.1518 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
11.2904 1.6518 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
10.5472 0.9827 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
9.5691 1.1906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.0699 1.5586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.1858 2.6464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.9540 0.0692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.8999 0.4475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.1745 2.5531 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
14.1690 2.4486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.1799 2.6576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.2790 3.5476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.9218 0.6554 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
7.7139 -0.3228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1297 1.6335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9437 0.8633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2745 0.1201 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
7.0177 -0.5490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5314 0.7893 0.0000 O 0 0 0 0 0 0 0 0 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
22 23 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 38 1 0 0 0 0
38 37 1 0 0 0 0
38 40 2 0 0 0 0
38 39 1 0 0 0 0
37 34 1 0 0 0 0
34 29 1 0 0 0 0
34 36 2 0 0 0 0
34 35 1 0 0 0 0
29 25 1 0 0 0 0
2 1 1 0 0 0 0
1 9 1 1 0 0 0
4 9 1 1 0 0 0
4 3 1 0 0 0 0
3 2 1 0 0 0 0
4 5 1 0 0 0 0
1 6 1 0 0 0 0
3 8 1 6 0 0 0
2 7 1 6 0 0 0
5 10 1 0 0 0 0
26 30 1 0 0 0 0
30 33 1 0 0 0 0
30 32 1 0 0 0 0
30 31 2 0 0 0 0
S SKP 7
ID BMCCPUAPS503
NAME ADPribose 2'-phosphate
FORMULA C15H24N5O17P3
EXACTMASS 639.038
AVERAGEMASS 639.2958
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](OP(O)(O)=O)[C@@H]2n(c4)c(n3)c(n4)c(N)nc3
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03246
M END
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