Mol:BMCCPUAPS602
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
38 41 0 0 1 0 0 0 0 0999 V2000
4.9344 0.0355 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
4.6254 -0.9155 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.6473 -1.1234 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.9781 -0.3803 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.2872 0.5708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.6180 1.3139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9126 -0.1724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2946 -1.6587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3383 -2.0745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.5882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2653 0.7787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9271 2.2650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.7169 -3.0970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.8509 -2.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8509 -1.5970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
12.7169 -1.0970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.5829 -1.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.5829 -2.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.3261 -0.9279 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
13.9193 -0.0143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.9248 -0.1188 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
14.4490 -3.0970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
12.2557 0.6243 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
12.4636 1.6025 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
11.5976 2.1025 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
10.8544 1.4333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
9.8763 1.6412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3771 2.0092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.4930 3.0970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.2612 0.5198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.2071 0.8981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.2290 1.1060 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
8.0211 0.1279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.4369 2.0842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2509 1.3139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5817 0.5708 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
7.3249 -0.0984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8386 1.2399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12 6 1 0 0 0 0
5 11 1 1 0 0 0
1 11 1 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
1 7 1 4 0 0 0
2 8 1 6 0 0 0
3 9 1 1 0 0 0
4 10 1 6 0 0 0
26 30 1 6 0 0 0
26 25 1 0 0 0 0
23 30 1 6 0 0 0
25 24 1 0 0 0 0
23 24 1 0 0 0 0
26 27 1 0 0 0 0
24 28 1 1 0 0 0
25 29 1 1 0 0 0
16 15 1 0 0 0 0
15 14 2 0 0 0 0
14 13 1 0 0 0 0
13 18 2 0 0 0 0
18 17 1 0 0 0 0
16 17 2 0 0 0 0
17 19 1 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
21 16 1 0 0 0 0
18 22 1 0 0 0 0
23 21 1 0 0 0 0
7 36 1 0 0 0 0
36 35 1 0 0 0 0
36 37 2 0 0 0 0
36 38 1 0 0 0 0
35 32 1 0 0 0 0
32 31 1 0 0 0 0
32 34 2 0 0 0 0
32 33 1 0 0 0 0
31 27 1 0 0 0 0
S SKP 7
ID BMCCPUAPS602
NAME ADPglucose
FORMULA C16H25N5O15P2
EXACTMASS 589.0822
AVERAGEMASS 589.3419
SMILES OC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)C1OP(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+C00498
M END
