Mol:BMCCPUAP0038
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
36 39 0 0 1 0 0 0 0 0999 V2000
3.7601 -2.9547 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.9511 -3.5425 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.2601 -4.4936 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.2601 -4.4936 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.8479 -5.3026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.2335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6723 -5.3026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5691 -3.5425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8424 -5.1980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4302 -6.0071 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
5.6211 -6.5948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.0180 -6.8161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2392 -5.4193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7601 -1.9547 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
4.6261 -1.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6261 -0.4547 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7601 0.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8940 -0.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8940 -1.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1509 0.2144 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5576 1.1280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5522 1.0234 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0280 -1.9547 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.2213 1.7666 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.2158 1.6621 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.6226 2.5756 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.8794 3.2447 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.9839 4.2392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7158 0.7960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6007 2.7835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0134 2.7447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1749 4.8270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2794 5.8216 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
5.2740 5.7170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2849 5.9261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3840 6.8161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
18 19 1 0 0 0 0
19 14 2 0 0 0 0
17 22 1 0 0 0 0
22 21 1 0 0 0 0
21 20 2 0 0 0 0
20 18 1 0 0 0 0
19 23 1 0 0 0 0
24 22 1 0 0 0 0
24 31 1 6 0 0 0
27 31 1 6 0 0 0
27 26 1 0 0 0 0
26 25 1 0 0 0 0
25 24 1 0 0 0 0
26 30 1 1 0 0 0
25 29 1 1 0 0 0
27 28 1 0 0 0 0
28 32 1 0 0 0 0
32 33 1 0 0 0 0
33 36 1 0 0 0 0
33 34 1 0 0 0 0
33 35 2 0 0 0 0
1 14 1 0 0 0 0
1 8 1 6 0 0 0
4 8 1 6 0 0 0
4 3 1 0 0 0 0
3 2 1 0 0 0 0
2 1 1 0 0 0 0
3 7 1 1 0 0 0
2 6 1 1 0 0 0
4 5 1 0 0 0 0
5 9 1 0 0 0 0
9 10 1 0 0 0 0
10 12 1 0 0 0 0
10 11 1 0 0 0 0
10 13 2 0 0 0 0
S SKP 7
ID BMCCPUAP0038
NAME Phosphoribosyl-AMP
FORMULA C15H24N5O14P2
EXACTMASS 560.0794
AVERAGEMASS 560.3238
SMILES O[C@@H]([C@@H](O)1)[C@@H](COP(O)(O)=O)O[C@H]1[n+1](c4)c(N)c(n3)c(n4)n(c3)[C@H](O2)[C@H](O)[C@H](O)[C@@H](COP(O)(O)=O)2
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02741
M END
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