Mol:BMMCPYCTm010
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 28 29 0 0 1 0 0 0 0 0999 V2000 | + | 28 29 0 0 1 0 0 0 0 0999 V2000 |
| − | 3.5823 3.8784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5823 3.8784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5878 3.7739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5878 3.7739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 4.5829 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 4.5829 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1701 3.0694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1701 3.0694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.4170 -1.5829 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.4170 -1.5829 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.5510 -2.0829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.5510 -2.0829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.5510 -3.0829 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.5510 -3.0829 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.4170 -3.5829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.4170 -3.5829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.2830 -3.0829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.2830 -3.0829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.2830 -2.0829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.2830 -2.0829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.6850 -1.5829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.6850 -1.5829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.4170 -4.5829 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.4170 -4.5829 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.4170 -0.5829 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 9.4170 -0.5829 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 10.2260 0.0049 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 10.2260 0.0049 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 9.9170 0.9559 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 9.9170 0.9559 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 8.9170 0.9559 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 8.9170 0.9559 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 8.3292 1.7650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.3292 1.7650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.2260 0.0049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.2260 0.0049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.5048 1.7650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.5048 1.7650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.6080 0.0049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.6080 0.0049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.3347 1.6604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.3347 1.6604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.7469 2.4694 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.7469 2.4694 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.9379 1.8817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.9379 1.8817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.5559 3.0572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.5559 3.0572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.1591 3.2785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.1591 3.2785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1646 3.1739 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1646 3.1739 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.2691 2.1794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.2691 2.1794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0601 4.1685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0601 4.1685 0.0000 O 0 0 0 0 0 0 0 0 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 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 16 20 1 6 0 0 0 | + | 16 20 1 6 0 0 0 |
| − | 16 15 1 0 0 0 0 | + | 16 15 1 0 0 0 0 |
| − | 13 20 1 6 0 0 0 | + | 13 20 1 6 0 0 0 |
| − | 15 14 1 0 0 0 0 | + | 15 14 1 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 14 18 1 1 0 0 0 | + | 14 18 1 1 0 0 0 |
| − | 15 19 1 1 0 0 0 | + | 15 19 1 1 0 0 0 |
| − | 13 5 1 0 0 0 0 | + | 13 5 1 0 0 0 0 |
| − | 25 22 1 0 0 0 0 | + | 25 22 1 0 0 0 0 |
| − | 22 21 1 0 0 0 0 | + | 22 21 1 0 0 0 0 |
| − | 22 24 2 0 0 0 0 | + | 22 24 2 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 21 17 1 0 0 0 0 | + | 21 17 1 0 0 0 0 |
| − | 6 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
| − | 6 5 1 0 0 0 0 | + | 6 5 1 0 0 0 0 |
| − | 5 10 1 0 0 0 0 | + | 5 10 1 0 0 0 0 |
| − | 10 9 2 0 0 0 0 | + | 10 9 2 0 0 0 0 |
| − | 9 8 1 0 0 0 0 | + | 9 8 1 0 0 0 0 |
| − | 8 7 2 0 0 0 0 | + | 8 7 2 0 0 0 0 |
| − | 6 11 2 0 0 0 0 | + | 6 11 2 0 0 0 0 |
| − | 8 12 1 0 0 0 0 | + | 8 12 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 4 1 0 0 0 0 | + | 26 4 1 0 0 0 0 |
| − | 26 27 2 0 0 0 0 | + | 26 27 2 0 0 0 0 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMMCPYCTm010 | + | ID BMMCPYCTm010 |
| − | NAME CDP-ethanol-amine | + | NAME CDP-ethanol-amine |
| − | FORMULA C11H20N4O11P2 | + | FORMULA C11H20N4O11P2 |
| − | EXACTMASS 446.0603 | + | EXACTMASS 446.0603 |
| − | AVERAGEMASS 446.2443 | + | AVERAGEMASS 446.2443 |
| − | SMILES NCCOP(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 NCCOP(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+C00570 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00570 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
28 29 0 0 1 0 0 0 0 0999 V2000
3.5823 3.8784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5878 3.7739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 4.5829 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1701 3.0694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.4170 -1.5829 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.5510 -2.0829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5510 -3.0829 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.4170 -3.5829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2830 -3.0829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2830 -2.0829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6850 -1.5829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.4170 -4.5829 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.4170 -0.5829 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
10.2260 0.0049 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
9.9170 0.9559 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.9170 0.9559 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.3292 1.7650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2260 0.0049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.5048 1.7650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.6080 0.0049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3347 1.6604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7469 2.4694 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
5.9379 1.8817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.5559 3.0572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1591 3.2785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1646 3.1739 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
5.2691 2.1794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0601 4.1685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4 1 1 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
16 20 1 6 0 0 0
16 15 1 0 0 0 0
13 20 1 6 0 0 0
15 14 1 0 0 0 0
13 14 1 0 0 0 0
16 17 1 0 0 0 0
14 18 1 1 0 0 0
15 19 1 1 0 0 0
13 5 1 0 0 0 0
25 22 1 0 0 0 0
22 21 1 0 0 0 0
22 24 2 0 0 0 0
22 23 1 0 0 0 0
21 17 1 0 0 0 0
6 7 1 0 0 0 0
6 5 1 0 0 0 0
5 10 1 0 0 0 0
10 9 2 0 0 0 0
9 8 1 0 0 0 0
8 7 2 0 0 0 0
6 11 2 0 0 0 0
8 12 1 0 0 0 0
25 26 1 0 0 0 0
26 4 1 0 0 0 0
26 27 2 0 0 0 0
26 28 1 0 0 0 0
S SKP 7
ID BMMCPYCTm010
NAME CDP-ethanol-amine
FORMULA C11H20N4O11P2
EXACTMASS 446.0603
AVERAGEMASS 446.2443
SMILES NCCOP(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+C00570
M END
