Mol:BMMCPYCTq011
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 31 0 0 1 0 0 0 0 0999 V2000 | + | 30 31 0 0 1 0 0 0 0 0999 V2000 |
| − | 4.5768 3.8784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5768 3.8784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5823 3.7739 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.5823 3.7739 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.9945 4.5829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9945 4.5829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1646 3.0694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1646 3.0694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1756 2.8603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1756 2.8603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 4.4784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 4.4784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.4115 -1.5829 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.4115 -1.5829 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.5455 -2.0829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.5455 -2.0829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.5455 -3.0829 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.5455 -3.0829 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.4115 -3.5829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.4115 -3.5829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.2776 -3.0829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.2776 -3.0829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.2776 -2.0829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.2776 -2.0829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.6795 -1.5829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.6795 -1.5829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.4115 -4.5829 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.4115 -4.5829 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.4115 -0.5829 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 10.4115 -0.5829 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 11.2206 0.0049 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 11.2206 0.0049 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 10.9115 0.9559 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 10.9115 0.9559 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 9.9115 0.9559 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 9.9115 0.9559 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 9.3238 1.7650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.3238 1.7650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 12.2206 0.0049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.2206 0.0049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.4993 1.7650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.4993 1.7650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.6025 0.0049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.6025 0.0049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.3292 1.6604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.3292 1.6604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.7414 2.4694 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.7414 2.4694 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.9324 1.8817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.9324 1.8817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.5505 3.0572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.5505 3.0572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1537 3.2785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1537 3.2785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.1591 3.1739 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.1591 3.1739 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.2637 2.1794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.2637 2.1794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.0546 4.1685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.0546 4.1685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 18 22 1 6 0 0 0 | + | 18 22 1 6 0 0 0 |
| − | 18 17 1 0 0 0 0 | + | 18 17 1 0 0 0 0 |
| − | 15 22 1 6 0 0 0 | + | 15 22 1 6 0 0 0 |
| − | 17 16 1 0 0 0 0 | + | 17 16 1 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 16 20 1 1 0 0 0 | + | 16 20 1 1 0 0 0 |
| − | 17 21 1 1 0 0 0 | + | 17 21 1 1 0 0 0 |
| − | 15 7 1 0 0 0 0 | + | 15 7 1 0 0 0 0 |
| − | 27 24 1 0 0 0 0 | + | 27 24 1 0 0 0 0 |
| − | 24 23 1 0 0 0 0 | + | 24 23 1 0 0 0 0 |
| − | 24 26 2 0 0 0 0 | + | 24 26 2 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 23 19 1 0 0 0 0 | + | 23 19 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 8 7 1 0 0 0 0 | + | 8 7 1 0 0 0 0 |
| − | 7 12 1 0 0 0 0 | + | 7 12 1 0 0 0 0 |
| − | 12 11 2 0 0 0 0 | + | 12 11 2 0 0 0 0 |
| − | 11 10 1 0 0 0 0 | + | 11 10 1 0 0 0 0 |
| − | 10 9 2 0 0 0 0 | + | 10 9 2 0 0 0 0 |
| − | 8 13 2 0 0 0 0 | + | 8 13 2 0 0 0 0 |
| − | 10 14 1 0 0 0 0 | + | 10 14 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 4 1 0 0 0 0 | + | 28 4 1 0 0 0 0 |
| − | 28 29 2 0 0 0 0 | + | 28 29 2 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | 4 1 1 0 0 0 0 | + | 4 1 1 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 5 1 6 0 0 0 | + | 2 5 1 6 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 6 1 0 0 0 0 | + | 3 6 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMMCPYCTq011 | + | ID BMMCPYCTq011 |
| − | NAME CDP-glycerol | + | NAME CDP-glycerol |
| − | FORMULA C12H21N3O13P2 | + | FORMULA C12H21N3O13P2 |
| − | EXACTMASS 477.0549 | + | EXACTMASS 477.0549 |
| − | AVERAGEMASS 477.255 | + | AVERAGEMASS 477.255 |
| − | SMILES OC[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)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+C00513 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00513 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 31 0 0 1 0 0 0 0 0999 V2000
4.5768 3.8784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5823 3.7739 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.9945 4.5829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1646 3.0694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1756 2.8603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 4.4784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.4115 -1.5829 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.5455 -2.0829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5455 -3.0829 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.4115 -3.5829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2776 -3.0829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2776 -2.0829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6795 -1.5829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.4115 -4.5829 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.4115 -0.5829 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
11.2206 0.0049 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
10.9115 0.9559 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
9.9115 0.9559 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
9.3238 1.7650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2206 0.0049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.4993 1.7650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.6025 0.0049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.3292 1.6604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.7414 2.4694 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
6.9324 1.8817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.5505 3.0572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1537 3.2785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1591 3.1739 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
6.2637 2.1794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0546 4.1685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
18 22 1 6 0 0 0
18 17 1 0 0 0 0
15 22 1 6 0 0 0
17 16 1 0 0 0 0
15 16 1 0 0 0 0
18 19 1 0 0 0 0
16 20 1 1 0 0 0
17 21 1 1 0 0 0
15 7 1 0 0 0 0
27 24 1 0 0 0 0
24 23 1 0 0 0 0
24 26 2 0 0 0 0
24 25 1 0 0 0 0
23 19 1 0 0 0 0
8 9 1 0 0 0 0
8 7 1 0 0 0 0
7 12 1 0 0 0 0
12 11 2 0 0 0 0
11 10 1 0 0 0 0
10 9 2 0 0 0 0
8 13 2 0 0 0 0
10 14 1 0 0 0 0
27 28 1 0 0 0 0
28 4 1 0 0 0 0
28 29 2 0 0 0 0
28 30 1 0 0 0 0
4 1 1 0 0 0 0
1 2 1 0 0 0 0
2 5 1 6 0 0 0
2 3 1 0 0 0 0
3 6 1 0 0 0 0
S SKP 7
ID BMMCPYCTq011
NAME CDP-glycerol
FORMULA C12H21N3O13P2
EXACTMASS 477.0549
AVERAGEMASS 477.255
SMILES OC[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+C00513
M END
