Mol:BMCCPUAP0026
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 32 0 0 1 0 0 0 0 0999 V2000 | + | 30 32 0 0 1 0 0 0 0 0999 V2000 |
| − | 3.7321 3.0970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 3.0970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 2.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 2.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 1.5970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 1.5970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 1.0970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 1.0970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 1.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 1.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 2.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 2.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1229 0.9279 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1229 0.9279 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5296 0.0143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5296 0.0143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5241 0.1188 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5241 0.1188 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 3.0970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 3.0970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1933 -0.6243 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 4.1933 -0.6243 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 3.9854 -1.6025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9854 -1.6025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8514 -2.1025 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 4.8514 -2.1025 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 5.5945 -1.4333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 5.5945 -1.4333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 6.5727 -1.6412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.5727 -1.6412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9559 -3.0970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9559 -3.0970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1878 -0.5198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1878 -0.5198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.2418 -0.8981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.2418 -0.8981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.2200 -1.1060 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.2200 -1.1060 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.0120 -2.0842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0120 -2.0842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.4279 -0.1279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.4279 -0.1279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.1981 -1.3139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.1981 -1.3139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.8672 -0.5708 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.8672 -0.5708 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.6104 -1.2399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.6104 -1.2399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.1241 0.0984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.1241 0.0984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.5364 0.1724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.5364 0.1724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.5145 -0.0355 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.5145 -0.0355 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.3066 -1.0137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.3066 -1.0137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.7224 0.9426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.7224 0.9426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 12.4927 -0.2435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.4927 -0.2435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 23 25 2 0 0 0 0 | + | 23 25 2 0 0 0 0 |
| − | 19 22 1 0 0 0 0 | + | 19 22 1 0 0 0 0 |
| − | 23 26 1 0 0 0 0 | + | 23 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 27 30 2 0 0 0 0 | + | 27 30 2 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 19 21 2 0 0 0 0 | + | 19 21 2 0 0 0 0 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 3 2 2 0 0 0 0 | + | 3 2 2 0 0 0 0 |
| − | 13 16 1 1 0 0 0 | + | 13 16 1 1 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 6 10 1 0 0 0 0 | + | 6 10 1 0 0 0 0 |
| − | 5 7 1 0 0 0 0 | + | 5 7 1 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
| − | 11 9 1 0 0 0 0 | + | 11 9 1 0 0 0 0 |
| − | 9 4 1 0 0 0 0 | + | 9 4 1 0 0 0 0 |
| − | 9 8 1 0 0 0 0 | + | 9 8 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 11 17 1 6 0 0 0 | + | 11 17 1 6 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
| − | 8 7 2 0 0 0 0 | + | 8 7 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 14 17 1 6 0 0 0 | + | 14 17 1 6 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMCCPUAP0026 | + | ID BMCCPUAP0026 |
| − | NAME dATP | + | NAME dATP |
| − | FORMULA C10H16N5O12P3 | + | FORMULA C10H16N5O12P3 |
| − | EXACTMASS 491.0008 | + | EXACTMASS 491.0008 |
| − | AVERAGEMASS 491.1818 | + | AVERAGEMASS 491.1818 |
| − | SMILES Nc(n3)c(n2)c(nc3)n(c2)[C@@H](C1)O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)1 | + | SMILES Nc(n3)c(n2)c(nc3)n(c2)[C@@H](C1)O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)1 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00131 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00131 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 32 0 0 1 0 0 0 0 0999 V2000
3.7321 3.0970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.5970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.0970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.5970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1229 0.9279 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5296 0.0143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5241 0.1188 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.0970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1933 -0.6243 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.9854 -1.6025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8514 -2.1025 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.5945 -1.4333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.5727 -1.6412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9559 -3.0970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1878 -0.5198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2418 -0.8981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.2200 -1.1060 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
8.0120 -2.0842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.4279 -0.1279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.1981 -1.3139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.8672 -0.5708 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
10.6104 -1.2399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.1241 0.0984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.5364 0.1724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.5145 -0.0355 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
11.3066 -1.0137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.7224 0.9426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.4927 -0.2435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
23 24 1 0 0 0 0
19 20 1 0 0 0 0
23 25 2 0 0 0 0
19 22 1 0 0 0 0
23 26 1 0 0 0 0
26 27 1 0 0 0 0
18 19 1 0 0 0 0
22 23 1 0 0 0 0
27 30 2 0 0 0 0
27 28 1 0 0 0 0
19 21 2 0 0 0 0
27 29 1 0 0 0 0
5 6 1 0 0 0 0
3 2 2 0 0 0 0
13 16 1 1 0 0 0
6 1 2 0 0 0 0
6 10 1 0 0 0 0
5 7 1 0 0 0 0
13 14 1 0 0 0 0
2 1 1 0 0 0 0
11 9 1 0 0 0 0
9 4 1 0 0 0 0
9 8 1 0 0 0 0
11 12 1 0 0 0 0
11 17 1 6 0 0 0
4 5 2 0 0 0 0
4 3 1 0 0 0 0
8 7 2 0 0 0 0
12 13 1 0 0 0 0
14 17 1 6 0 0 0
14 15 1 0 0 0 0
15 18 1 0 0 0 0
S SKP 7
ID BMCCPUAP0026
NAME dATP
FORMULA C10H16N5O12P3
EXACTMASS 491.0008
AVERAGEMASS 491.1818
SMILES Nc(n3)c(n2)c(nc3)n(c2)[C@@H](C1)O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00131
M END
