Mol:BMCCPUAPt031
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 44 48 0 0 1 0 0 0 0 0999 V2000 | + | 44 48 0 0 1 0 0 0 0 0999 V2000 |
| − | 3.7321 2.5881 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 2.5881 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 2.0881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 2.0881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 1.0881 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 1.0881 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 0.5881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 0.5881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 1.0881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 1.0881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 2.0881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 2.0881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1229 0.4190 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1229 0.4190 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5296 -0.4946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5296 -0.4946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5241 -0.3900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5241 -0.3900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 2.5881 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 2.5881 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1933 -1.1332 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 4.1933 -1.1332 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 3.9854 -2.1113 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.9854 -2.1113 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 4.8514 -2.6113 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 4.8514 -2.6113 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 5.5945 -1.9422 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 5.5945 -1.9422 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 6.5727 -2.1501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.5727 -2.1501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0718 -2.5181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0718 -2.5181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9559 -3.6058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9559 -3.6058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1878 -1.0286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1878 -1.0286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 14.5849 1.0078 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 | + | 14.5849 1.0078 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 |
| − | 15.0849 1.8738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 15.0849 1.8738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 16.0849 1.8738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 16.0849 1.8738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 16.5849 1.0078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 16.5849 1.0078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 16.0849 0.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 16.0849 0.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 15.0849 0.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 15.0849 0.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 16.5849 2.7398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 16.5849 2.7398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 16.0849 3.6058 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 16.0849 3.6058 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 17.5849 2.7398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 17.5849 2.7398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 13.5849 1.0078 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 13.5849 1.0078 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 12.8418 1.6769 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 12.8418 1.6769 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 11.9757 1.1769 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 11.9757 1.1769 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 12.1836 0.1987 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 12.1836 0.1987 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 11.5145 -0.5444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.5145 -0.5444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 12.9463 2.6714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.9463 2.6714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.0622 1.5836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.0622 1.5836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 13.1782 0.0942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 13.1782 0.0942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.5364 -0.3365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.5364 -0.3365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.8672 -1.0796 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.8672 -1.0796 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.6104 -1.7488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.6104 -1.7488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.1241 -0.4105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.1241 -0.4105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.1981 -1.8228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.1981 -1.8228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.2200 -1.6149 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.2200 -1.6149 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.0120 -2.5930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0120 -2.5930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.4279 -0.6367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.4279 -0.6367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.2418 -1.4070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.2418 -1.4070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 31 35 1 6 0 0 0 | + | 31 35 1 6 0 0 0 |
| − | 31 30 1 0 0 0 0 | + | 31 30 1 0 0 0 0 |
| − | 28 35 1 6 0 0 0 | + | 28 35 1 6 0 0 0 |
| − | 30 29 1 0 0 0 0 | + | 30 29 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 29 33 1 1 0 0 0 | + | 29 33 1 1 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 21 20 2 0 0 0 0 | + | 21 20 2 0 0 0 0 |
| − | 20 19 1 0 0 0 0 | + | 20 19 1 0 0 0 0 |
| − | 19 24 2 0 0 0 0 | + | 19 24 2 0 0 0 0 |
| − | 24 23 1 0 0 0 0 | + | 24 23 1 0 0 0 0 |
| − | 23 22 2 0 0 0 0 | + | 23 22 2 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 25 27 2 0 0 0 0 | + | 25 27 2 0 0 0 0 |
| − | 21 25 1 0 0 0 0 | + | 21 25 1 0 0 0 0 |
| − | 30 34 1 1 0 0 0 | + | 30 34 1 1 0 0 0 |
| − | 37 38 2 0 0 0 0 | + | 37 38 2 0 0 0 0 |
| − | 37 39 1 0 0 0 0 | + | 37 39 1 0 0 0 0 |
| − | 37 40 1 0 0 0 0 | + | 37 40 1 0 0 0 0 |
| − | 40 41 1 0 0 0 0 | + | 40 41 1 0 0 0 0 |
| − | 41 44 1 0 0 0 0 | + | 41 44 1 0 0 0 0 |
| − | 41 42 2 0 0 0 0 | + | 41 42 2 0 0 0 0 |
| − | 41 43 1 0 0 0 0 | + | 41 43 1 0 0 0 0 |
| − | 14 18 1 6 0 0 0 | + | 14 18 1 6 0 0 0 |
| − | 14 13 1 0 0 0 0 | + | 14 13 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 |
| − | 15 44 1 0 0 0 0 | + | 15 44 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 |
| − | 28 19 1 0 0 0 0 | + | 28 19 1 0 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 |
| − | 32 36 1 0 0 0 0 | + | 32 36 1 0 0 0 0 |
| − | 37 36 1 0 0 0 0 | + | 37 36 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMCCPUAPt031 | + | ID BMCCPUAPt031 |
| − | NAME NAD+ | + | NAME NAD+ |
| − | FORMULA C21H28N7O14P2 | + | FORMULA C21H28N7O14P2 |
| − | EXACTMASS 664.1169 | + | EXACTMASS 664.1169 |
| − | AVERAGEMASS 664.4333 | + | AVERAGEMASS 664.4333 |
| − | SMILES c([n+1]1[C@@H]([C@@H]5O)O[C@@H]([C@H]5O)COP(OP(OC[C@H]([C@H]4O)O[C@H]([C@@H]4O)n(c3)c(n2)c(n3)c(N)nc2)(O)=O)(O)=O)ccc(c1)C(N)=O | + | SMILES c([n+1]1[C@@H]([C@@H]5O)O[C@@H]([C@H]5O)COP(OP(OC[C@H]([C@H]4O)O[C@H]([C@@H]4O)n(c3)c(n2)c(n3)c(N)nc2)(O)=O)(O)=O)ccc(c1)C(N)=O |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00003 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00003 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
44 48 0 0 1 0 0 0 0 0999 V2000
3.7321 2.5881 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.0881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.0881 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.5881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.0881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.0881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1229 0.4190 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5296 -0.4946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5241 -0.3900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.5881 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1933 -1.1332 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.9854 -2.1113 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.8514 -2.6113 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.5945 -1.9422 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.5727 -2.1501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0718 -2.5181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9559 -3.6058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1878 -1.0286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
14.5849 1.0078 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
15.0849 1.8738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.0849 1.8738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.5849 1.0078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.0849 0.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.0849 0.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.5849 2.7398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.0849 3.6058 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
17.5849 2.7398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.5849 1.0078 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
12.8418 1.6769 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
11.9757 1.1769 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
12.1836 0.1987 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
11.5145 -0.5444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.9463 2.6714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.0622 1.5836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.1782 0.0942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.5364 -0.3365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.8672 -1.0796 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
10.6104 -1.7488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.1241 -0.4105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.1981 -1.8228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.2200 -1.6149 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
8.0120 -2.5930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.4279 -0.6367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2418 -1.4070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
31 35 1 6 0 0 0
31 30 1 0 0 0 0
28 35 1 6 0 0 0
30 29 1 0 0 0 0
28 29 1 0 0 0 0
31 32 1 0 0 0 0
29 33 1 1 0 0 0
21 22 1 0 0 0 0
21 20 2 0 0 0 0
20 19 1 0 0 0 0
19 24 2 0 0 0 0
24 23 1 0 0 0 0
23 22 2 0 0 0 0
25 26 1 0 0 0 0
25 27 2 0 0 0 0
21 25 1 0 0 0 0
30 34 1 1 0 0 0
37 38 2 0 0 0 0
37 39 1 0 0 0 0
37 40 1 0 0 0 0
40 41 1 0 0 0 0
41 44 1 0 0 0 0
41 42 2 0 0 0 0
41 43 1 0 0 0 0
14 18 1 6 0 0 0
14 13 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
15 44 1 0 0 0 0
12 16 1 1 0 0 0
13 17 1 1 0 0 0
28 19 1 0 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
32 36 1 0 0 0 0
37 36 1 0 0 0 0
S SKP 7
ID BMCCPUAPt031
NAME NAD+
FORMULA C21H28N7O14P2
EXACTMASS 664.1169
AVERAGEMASS 664.4333
SMILES c([n+1]1[C@@H]([C@@H]5O)O[C@@H]([C@H]5O)COP(OP(OC[C@H]([C@H]4O)O[C@H]([C@@H]4O)n(c3)c(n2)c(n3)c(N)nc2)(O)=O)(O)=O)ccc(c1)C(N)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00003
M END
