Mol:BMMCPYCTb009
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 32 0 0 1 0 0 0 0 0999 V2000 | + | 31 32 0 0 1 0 0 0 0 0999 V2000 |
| − | 4.3913 3.4739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3913 3.4739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3968 3.3694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3968 3.3694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8090 4.1784 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 | + | 2.8090 4.1784 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 3.5906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 3.5906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2212 4.9874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2212 4.9874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6180 4.7662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6180 4.7662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.2260 -1.9874 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.2260 -1.9874 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.3600 -2.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.3600 -2.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.3600 -3.4874 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.3600 -3.4874 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.2260 -3.9874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.2260 -3.9874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.0921 -3.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.0921 -3.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.0921 -2.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.0921 -2.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.4940 -1.9874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.4940 -1.9874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.2260 -4.9874 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.2260 -4.9874 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.2260 -0.9874 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 10.2260 -0.9874 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 11.0350 -0.3996 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 11.0350 -0.3996 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 10.7260 0.5514 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 10.7260 0.5514 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 9.7260 0.5514 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 9.7260 0.5514 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 9.1382 1.3604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.1382 1.3604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 12.0350 -0.3996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.0350 -0.3996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.3138 1.3604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.3138 1.3604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.4170 -0.3996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.4170 -0.3996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.1437 1.2559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.1437 1.2559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.5559 2.0649 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.5559 2.0649 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.7469 1.4771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.7469 1.4771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.3650 2.6527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.3650 2.6527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.9682 2.8739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.9682 2.8739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.9736 2.7694 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.9736 2.7694 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.0782 1.7749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.0782 1.7749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.8691 3.7639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.8691 3.7639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9791 2.6649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9791 2.6649 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 31 1 0 0 0 0 | + | 28 31 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 |
| − | 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 |
| − | 3 6 1 0 0 0 0 | + | 3 6 1 0 0 0 0 |
| − | 3 5 1 0 0 0 0 | + | 3 5 1 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 1 31 1 0 0 0 0 | + | 1 31 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMMCPYCTb009 | + | ID BMMCPYCTb009 |
| − | NAME CDP-choline | + | NAME CDP-choline |
| − | FORMULA C14H27N4O11P2 | + | FORMULA C14H27N4O11P2 |
| − | EXACTMASS 489.1151 | + | EXACTMASS 489.1151 |
| − | AVERAGEMASS 489.332 | + | AVERAGEMASS 489.332 |
| − | SMILES NC(C=2)=NC(=O)N(C2)[C@H](O1)[C@H](O)[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OCC[N+1](C)(C)C)1 | + | SMILES NC(C=2)=NC(=O)N(C2)[C@H](O1)[C@H](O)[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OCC[N+1](C)(C)C)1 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00307 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00307 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 32 0 0 1 0 0 0 0 0999 V2000
4.3913 3.4739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3968 3.3694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8090 4.1784 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
2.0000 3.5906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2212 4.9874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6180 4.7662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2260 -1.9874 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.3600 -2.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3600 -3.4874 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.2260 -3.9874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0921 -3.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0921 -2.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4940 -1.9874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.2260 -4.9874 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.2260 -0.9874 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
11.0350 -0.3996 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
10.7260 0.5514 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
9.7260 0.5514 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
9.1382 1.3604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0350 -0.3996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.3138 1.3604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.4170 -0.3996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1437 1.2559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.5559 2.0649 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
6.7469 1.4771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.3650 2.6527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9682 2.8739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9736 2.7694 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
6.0782 1.7749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8691 3.7639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9791 2.6649 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 31 1 0 0 0 0
28 29 2 0 0 0 0
28 30 1 0 0 0 0
3 2 1 0 0 0 0
2 1 1 0 0 0 0
3 6 1 0 0 0 0
3 5 1 0 0 0 0
3 4 1 0 0 0 0
1 31 1 0 0 0 0
S SKP 7
ID BMMCPYCTb009
NAME CDP-choline
FORMULA C14H27N4O11P2
EXACTMASS 489.1151
AVERAGEMASS 489.332
SMILES NC(C=2)=NC(=O)N(C2)[C@H](O1)[C@H](O)[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OCC[N+1](C)(C)C)1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00307
M END
