Mol:BMMCPYCTq012
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 34 35 0 0 1 0 0 0 0 0999 V2000 | + | 34 35 0 0 1 0 0 0 0 0999 V2000 |
| − | 2.9945 4.8306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9945 4.8306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5823 4.0216 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.5823 4.0216 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 4.5768 4.1261 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 4.5768 4.1261 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 5.1646 3.3171 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 5.1646 3.3171 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 6.1591 3.4216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.1591 3.4216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 4.7261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 4.7261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1756 3.1081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1756 3.1081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9836 5.0397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9836 5.0397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7579 2.4036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7579 2.4036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.7469 2.6126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.7469 2.6126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.9938 -2.0397 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.9938 -2.0397 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.1278 -2.5397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.1278 -2.5397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.1278 -3.5397 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.1278 -3.5397 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.9938 -4.0397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.9938 -4.0397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 12.8599 -3.5397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.8599 -3.5397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 12.8599 -2.5397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.8599 -2.5397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.2618 -2.0397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.2618 -2.0397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.9938 -5.0397 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.9938 -5.0397 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.9938 -1.0397 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 11.9938 -1.0397 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 12.8029 -0.4519 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 12.8029 -0.4519 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 12.4938 0.4992 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 12.4938 0.4992 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 11.4938 0.4992 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 11.4938 0.4992 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 10.9061 1.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.9061 1.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 13.8029 -0.4519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 13.8029 -0.4519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 13.0816 1.3082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 13.0816 1.3082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.1848 -0.4519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.1848 -0.4519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.9115 1.2037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.9115 1.2037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.3238 2.0127 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.3238 2.0127 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.5147 1.4249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.5147 1.4249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.1328 2.6005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.1328 2.6005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.7360 2.8217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.7360 2.8217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.7414 2.7172 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.7414 2.7172 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.8460 1.7226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.8460 1.7226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.6369 3.7117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.6369 3.7117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5 4 1 0 0 0 0 | + | 5 4 1 0 0 0 0 |
| − | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
| − | 3 2 1 0 0 0 0 | + | 3 2 1 0 0 0 0 |
| − | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
| − | 5 10 1 0 0 0 0 | + | 5 10 1 0 0 0 0 |
| − | 4 9 1 1 0 0 0 | + | 4 9 1 1 0 0 0 |
| − | 3 8 1 6 0 0 0 | + | 3 8 1 6 0 0 0 |
| − | 2 7 1 1 0 0 0 | + | 2 7 1 1 0 0 0 |
| − | 1 6 1 0 0 0 0 | + | 1 6 1 0 0 0 0 |
| − | 22 26 1 6 0 0 0 | + | 22 26 1 6 0 0 0 |
| − | 22 21 1 0 0 0 0 | + | 22 21 1 0 0 0 0 |
| − | 19 26 1 6 0 0 0 | + | 19 26 1 6 0 0 0 |
| − | 21 20 1 0 0 0 0 | + | 21 20 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 20 24 1 1 0 0 0 | + | 20 24 1 1 0 0 0 |
| − | 21 25 1 1 0 0 0 | + | 21 25 1 1 0 0 0 |
| − | 19 11 1 0 0 0 0 | + | 19 11 1 0 0 0 0 |
| − | 31 28 1 0 0 0 0 | + | 31 28 1 0 0 0 0 |
| − | 28 27 1 0 0 0 0 | + | 28 27 1 0 0 0 0 |
| − | 28 30 2 0 0 0 0 | + | 28 30 2 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 27 23 1 0 0 0 0 | + | 27 23 1 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 12 11 1 0 0 0 0 | + | 12 11 1 0 0 0 0 |
| − | 11 16 1 0 0 0 0 | + | 11 16 1 0 0 0 0 |
| − | 16 15 2 0 0 0 0 | + | 16 15 2 0 0 0 0 |
| − | 15 14 1 0 0 0 0 | + | 15 14 1 0 0 0 0 |
| − | 14 13 2 0 0 0 0 | + | 14 13 2 0 0 0 0 |
| − | 12 17 2 0 0 0 0 | + | 12 17 2 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 32 10 1 0 0 0 0 | + | 32 10 1 0 0 0 0 |
| − | 32 33 2 0 0 0 0 | + | 32 33 2 0 0 0 0 |
| − | 32 34 1 0 0 0 0 | + | 32 34 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMMCPYCTq012 | + | ID BMMCPYCTq012 |
| − | NAME CDP-ribitol | + | NAME CDP-ribitol |
| − | FORMULA C14H25N3O15P2 | + | FORMULA C14H25N3O15P2 |
| − | EXACTMASS 537.076 | + | EXACTMASS 537.076 |
| − | AVERAGEMASS 537.307 | + | AVERAGEMASS 537.307 |
| − | SMILES OC[C@H](O)[C@H](O)[C@H](O)COP(O)(=O)OP(O)(=O)OC[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H]1N(C=2)C(=O)N=C(N)C2 | + | SMILES OC[C@H](O)[C@H](O)[C@H](O)COP(O)(=O)OP(O)(=O)OC[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H]1N(C=2)C(=O)N=C(N)C2 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00789 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00789 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
34 35 0 0 1 0 0 0 0 0999 V2000
2.9945 4.8306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5823 4.0216 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5768 4.1261 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.1646 3.3171 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.1591 3.4216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 4.7261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1756 3.1081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9836 5.0397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7579 2.4036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7469 2.6126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.9938 -2.0397 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.1278 -2.5397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1278 -3.5397 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.9938 -4.0397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.8599 -3.5397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.8599 -2.5397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2618 -2.0397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.9938 -5.0397 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.9938 -1.0397 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
12.8029 -0.4519 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
12.4938 0.4992 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
11.4938 0.4992 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
10.9061 1.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.8029 -0.4519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.0816 1.3082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.1848 -0.4519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.9115 1.2037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.3238 2.0127 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
8.5147 1.4249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.1328 2.6005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.7360 2.8217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.7414 2.7172 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
7.8460 1.7226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6369 3.7117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5 4 1 0 0 0 0
4 3 1 0 0 0 0
3 2 1 0 0 0 0
2 1 1 0 0 0 0
5 10 1 0 0 0 0
4 9 1 1 0 0 0
3 8 1 6 0 0 0
2 7 1 1 0 0 0
1 6 1 0 0 0 0
22 26 1 6 0 0 0
22 21 1 0 0 0 0
19 26 1 6 0 0 0
21 20 1 0 0 0 0
19 20 1 0 0 0 0
22 23 1 0 0 0 0
20 24 1 1 0 0 0
21 25 1 1 0 0 0
19 11 1 0 0 0 0
31 28 1 0 0 0 0
28 27 1 0 0 0 0
28 30 2 0 0 0 0
28 29 1 0 0 0 0
27 23 1 0 0 0 0
12 13 1 0 0 0 0
12 11 1 0 0 0 0
11 16 1 0 0 0 0
16 15 2 0 0 0 0
15 14 1 0 0 0 0
14 13 2 0 0 0 0
12 17 2 0 0 0 0
14 18 1 0 0 0 0
31 32 1 0 0 0 0
32 10 1 0 0 0 0
32 33 2 0 0 0 0
32 34 1 0 0 0 0
S SKP 7
ID BMMCPYCTq012
NAME CDP-ribitol
FORMULA C14H25N3O15P2
EXACTMASS 537.076
AVERAGEMASS 537.307
SMILES OC[C@H](O)[C@H](O)[C@H](O)COP(O)(=O)OP(O)(=O)OC[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H]1N(C=2)C(=O)N=C(N)C2
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00789
M END
