Mol:BMCCPUAPc010
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 33 0 0 1 0 0 0 0 0999 V2000 | + | 31 33 0 0 1 0 0 0 0 0999 V2000 |
| − | 3.7321 3.7954 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 3.7954 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 3.2954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 3.2954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 2.2954 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 2.2954 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 1.7954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 1.7954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 2.2954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 2.2954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 3.2954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 3.2954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1229 1.6263 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1229 1.6263 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5296 0.7127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5296 0.7127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5241 0.8172 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5241 0.8172 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 3.7954 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 3.7954 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1933 0.0741 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 4.1933 0.0741 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 3.9854 -0.9041 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.9854 -0.9041 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 4.8514 -1.4041 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 4.8514 -1.4041 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 5.5945 -0.7349 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 5.5945 -0.7349 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 6.5727 -0.9428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.5727 -0.9428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0718 -1.3108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0718 -1.3108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9559 -2.3986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9559 -2.3986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1878 0.1786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1878 0.1786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.2418 -0.1997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.2418 -0.1997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1469 -2.9864 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1469 -2.9864 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5591 -2.1773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5591 -2.1773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3379 -3.5742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3379 -3.5742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7347 -3.7954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7347 -3.7954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.2200 -0.4076 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.2200 -0.4076 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.0120 -1.3858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0120 -1.3858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.4279 0.5705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.4279 0.5705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.1981 -0.6155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.1981 -0.6155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.8672 0.1276 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.8672 0.1276 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.6104 -0.5415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.6104 -0.5415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.1241 0.7968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.1241 0.7968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.5364 0.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.5364 0.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 14 18 1 6 0 0 0 | + | 14 18 1 6 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 11 18 1 6 0 0 0 | + | 11 18 1 6 0 0 0 |
| − | 13 12 1 0 0 0 0 | + | 13 12 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 12 16 1 1 0 0 0 | + | 12 16 1 1 0 0 0 |
| − | 13 17 1 1 0 0 0 | + | 13 17 1 1 0 0 0 |
| − | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
| − | 3 2 2 0 0 0 0 | + | 3 2 2 0 0 0 0 |
| − | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
| − | 1 6 2 0 0 0 0 | + | 1 6 2 0 0 0 0 |
| − | 6 5 1 0 0 0 0 | + | 6 5 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 7 1 0 0 0 0 | + | 5 7 1 0 0 0 0 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 4 1 0 0 0 0 | + | 9 4 1 0 0 0 0 |
| − | 6 10 1 0 0 0 0 | + | 6 10 1 0 0 0 0 |
| − | 11 9 1 0 0 0 0 | + | 11 9 1 0 0 0 0 |
| − | 30 28 2 0 0 0 0 | + | 30 28 2 0 0 0 0 |
| − | 28 27 1 0 0 0 0 | + | 28 27 1 0 0 0 0 |
| − | 28 29 2 0 0 0 0 | + | 28 29 2 0 0 0 0 |
| − | 28 31 1 0 0 0 0 | + | 28 31 1 0 0 0 0 |
| − | 27 24 1 0 0 0 0 | + | 27 24 1 0 0 0 0 |
| − | 24 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 19 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
| − | 17 20 1 0 0 0 0 | + | 17 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 20 22 2 0 0 0 0 | + | 20 22 2 0 0 0 0 |
| − | 20 23 1 0 0 0 0 | + | 20 23 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMCCPUAPc010 | + | ID BMCCPUAPc010 |
| − | NAME 3'-Phospho-adenosine-5'-phospho-sulfate | + | NAME 3'-Phospho-adenosine-5'-phospho-sulfate |
| − | FORMULA C10H15N5O13P2S | + | FORMULA C10H15N5O13P2S |
| − | EXACTMASS 506.9862 | + | EXACTMASS 506.9862 |
| − | AVERAGEMASS 507.2655 | + | AVERAGEMASS 507.2655 |
| − | SMILES Nc(n3)c(n2)c(nc3)n(c2)[C@H](O1)[C@H](O)[C@H](OP(O)(O)=O)[C@@H](COP(O)(=O)OS(O)(=O)=O)1 | + | SMILES Nc(n3)c(n2)c(nc3)n(c2)[C@H](O1)[C@H](O)[C@H](OP(O)(O)=O)[C@@H](COP(O)(=O)OS(O)(=O)=O)1 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00053 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00053 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 33 0 0 1 0 0 0 0 0999 V2000
3.7321 3.7954 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.2954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.2954 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.7954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.2954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 3.2954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1229 1.6263 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5296 0.7127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5241 0.8172 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.7954 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1933 0.0741 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.9854 -0.9041 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.8514 -1.4041 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.5945 -0.7349 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.5727 -0.9428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0718 -1.3108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9559 -2.3986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1878 0.1786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2418 -0.1997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1469 -2.9864 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
3.5591 -2.1773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3379 -3.5742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7347 -3.7954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.2200 -0.4076 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
8.0120 -1.3858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.4279 0.5705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.1981 -0.6155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.8672 0.1276 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
10.6104 -0.5415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.1241 0.7968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.5364 0.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
14 18 1 6 0 0 0
13 14 1 0 0 0 0
11 18 1 6 0 0 0
13 12 1 0 0 0 0
11 12 1 0 0 0 0
14 15 1 0 0 0 0
12 16 1 1 0 0 0
13 17 1 1 0 0 0
4 3 1 0 0 0 0
3 2 2 0 0 0 0
2 1 1 0 0 0 0
1 6 2 0 0 0 0
6 5 1 0 0 0 0
4 5 2 0 0 0 0
5 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 4 1 0 0 0 0
6 10 1 0 0 0 0
11 9 1 0 0 0 0
30 28 2 0 0 0 0
28 27 1 0 0 0 0
28 29 2 0 0 0 0
28 31 1 0 0 0 0
27 24 1 0 0 0 0
24 19 1 0 0 0 0
24 25 2 0 0 0 0
24 26 1 0 0 0 0
19 15 1 0 0 0 0
17 20 1 0 0 0 0
20 21 1 0 0 0 0
20 22 2 0 0 0 0
20 23 1 0 0 0 0
S SKP 7
ID BMCCPUAPc010
NAME 3'-Phospho-adenosine-5'-phospho-sulfate
FORMULA C10H15N5O13P2S
EXACTMASS 506.9862
AVERAGEMASS 507.2655
SMILES Nc(n3)c(n2)c(nc3)n(c2)[C@H](O1)[C@H](O)[C@H](OP(O)(O)=O)[C@@H](COP(O)(=O)OS(O)(=O)=O)1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00053
M END
