Mol:BMMCPYTY0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 21 22 0 0 1 0 0 0 0 0999 V2000 | + | 21 22 0 0 1 0 0 0 0 0999 V2000 |
| − | 5.4791 -0.9307 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4791 -0.9307 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6131 -1.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6131 -1.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6131 -2.4307 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6131 -2.4307 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4791 -2.9307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4791 -2.9307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3451 -2.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3451 -2.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3451 -1.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3451 -1.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7471 -0.9307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7471 -0.9307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4791 -3.9307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4791 -3.9307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.2112 -2.9307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.2112 -2.9307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4791 0.0693 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 5.4791 0.0693 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 6.2881 0.6571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.2881 0.6571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.9791 1.6082 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 5.9791 1.6082 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 4.9791 1.6082 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 4.9791 1.6082 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 4.3913 2.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3913 2.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.5669 2.4172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.5669 2.4172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6701 0.6571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6701 0.6571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3968 2.3126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3968 2.3126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8090 3.1217 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8090 3.1217 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 2.5339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 2.5339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6180 3.7095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6180 3.7095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2212 3.9307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2212 3.9307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 18 20 1 0 0 0 0 | + | 18 20 1 0 0 0 0 |
| − | 18 21 1 0 0 0 0 | + | 18 21 1 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 13 16 1 6 0 0 0 | + | 13 16 1 6 0 0 0 |
| − | 10 16 1 6 0 0 0 | + | 10 16 1 6 0 0 0 |
| − | 12 15 1 1 0 0 0 | + | 12 15 1 1 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 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 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 10 1 1 0 0 0 0 | + | 10 1 1 0 0 0 0 |
| − | 2 7 2 0 0 0 0 | + | 2 7 2 0 0 0 0 |
| − | 4 8 2 0 0 0 0 | + | 4 8 2 0 0 0 0 |
| − | 12 11 1 0 0 0 0 | + | 12 11 1 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 5 9 1 0 0 0 0 | + | 5 9 1 0 0 0 0 |
| − | 14 17 1 0 0 0 0 | + | 14 17 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMMCPYTY0003 | + | ID BMMCPYTY0003 |
| − | NAME dTMP | + | NAME dTMP |
| − | FORMULA C10H15N2O8P | + | FORMULA C10H15N2O8P |
| − | EXACTMASS 322.0566 | + | EXACTMASS 322.0566 |
| − | AVERAGEMASS 322.2085 | + | AVERAGEMASS 322.2085 |
| − | SMILES CC(=C1)C(=O)NC(=O)N1[C@@H](C2)O[C@H](COP(O)(O)=O)[C@@H](O)2 | + | SMILES CC(=C1)C(=O)NC(=O)N1[C@@H](C2)O[C@H](COP(O)(O)=O)[C@@H](O)2 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00364 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00364 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
21 22 0 0 1 0 0 0 0 0999 V2000
5.4791 -0.9307 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6131 -1.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6131 -2.4307 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4791 -2.9307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3451 -2.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3451 -1.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7471 -0.9307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4791 -3.9307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2112 -2.9307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4791 0.0693 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.2881 0.6571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9791 1.6082 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.9791 1.6082 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.3913 2.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5669 2.4172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6701 0.6571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3968 2.3126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8090 3.1217 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.5339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6180 3.7095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2212 3.9307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
18 19 2 0 0 0 0
18 20 1 0 0 0 0
18 21 1 0 0 0 0
17 18 1 0 0 0 0
13 16 1 6 0 0 0
10 16 1 6 0 0 0
12 15 1 1 0 0 0
13 14 1 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
10 1 1 0 0 0 0
2 7 2 0 0 0 0
4 8 2 0 0 0 0
12 11 1 0 0 0 0
12 13 1 0 0 0 0
10 11 1 0 0 0 0
5 9 1 0 0 0 0
14 17 1 0 0 0 0
S SKP 7
ID BMMCPYTY0003
NAME dTMP
FORMULA C10H15N2O8P
EXACTMASS 322.0566
AVERAGEMASS 322.2085
SMILES CC(=C1)C(=O)NC(=O)N1[C@@H](C2)O[C@H](COP(O)(O)=O)[C@@H](O)2
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00364
M END
