Mol:BMMCPYUR0002
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 |
| − | 4.0823 -1.0875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0823 -1.0875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2163 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2163 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2163 -2.5875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2163 -2.5875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0823 -3.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0823 -3.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9483 -2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9483 -2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9483 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9483 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3503 -1.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3503 -1.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0823 -4.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0823 -4.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0823 -0.0875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 4.0823 -0.0875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 4.8913 0.5003 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 4.8913 0.5003 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 4.5823 1.4514 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 4.5823 1.4514 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 3.5823 1.4514 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.5823 1.4514 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.9945 2.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9945 2.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.8913 0.5003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.8913 0.5003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1701 2.2604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1701 2.2604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2733 0.5003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2733 0.5003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 2.1559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 2.1559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7634 3.1739 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7634 3.1739 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8498 2.7672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8498 2.7672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.6769 3.5807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.6769 3.5807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3566 4.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3566 4.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 12 16 1 6 0 0 0 | + | 12 16 1 6 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 9 16 1 6 0 0 0 | + | 9 16 1 6 0 0 0 |
| − | 11 10 1 0 0 0 0 | + | 11 10 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 9 1 1 0 0 0 0 | + | 9 1 1 0 0 0 0 |
| − | 10 14 1 1 0 0 0 | + | 10 14 1 1 0 0 0 |
| − | 11 15 1 1 0 0 0 | + | 11 15 1 1 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 17 1 0 0 0 0 | + | 13 17 1 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 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 |
| − | 1 6 1 0 0 0 0 | + | 1 6 1 0 0 0 0 |
| − | 6 5 2 0 0 0 0 | + | 6 5 2 0 0 0 0 |
| − | 5 4 1 0 0 0 0 | + | 5 4 1 0 0 0 0 |
| − | 4 8 2 0 0 0 0 | + | 4 8 2 0 0 0 0 |
| − | 2 7 2 0 0 0 0 | + | 2 7 2 0 0 0 0 |
| − | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 18 21 1 0 0 0 0 | + | 18 21 1 0 0 0 0 |
| − | 18 20 1 0 0 0 0 | + | 18 20 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMMCPYUR0002 | + | ID BMMCPYUR0002 |
| − | NAME 3'-UMP | + | NAME 3'-UMP |
| − | FORMULA C9H13N2O9P | + | FORMULA C9H13N2O9P |
| − | EXACTMASS 324.0358 | + | EXACTMASS 324.0358 |
| − | AVERAGEMASS 324.1813 | + | AVERAGEMASS 324.1813 |
| − | SMILES OC[C@@H](O1)[C@@H](OP(O)(O)=O)[C@@H](O)[C@@H]1N(C=2)C(=O)NC(=O)C2 | + | SMILES OC[C@@H](O1)[C@@H](OP(O)(O)=O)[C@@H](O)[C@@H]1N(C=2)C(=O)NC(=O)C2 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01368 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01368 |
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
4.0823 -1.0875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.2163 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2163 -2.5875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.0823 -3.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9483 -2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9483 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3503 -1.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0823 -4.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0823 -0.0875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.8913 0.5003 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5823 1.4514 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.5823 1.4514 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.9945 2.2604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8913 0.5003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1701 2.2604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2733 0.5003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.1559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7634 3.1739 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
3.8498 2.7672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6769 3.5807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3566 4.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12 16 1 6 0 0 0
11 12 1 0 0 0 0
9 16 1 6 0 0 0
11 10 1 0 0 0 0
9 10 1 0 0 0 0
9 1 1 0 0 0 0
10 14 1 1 0 0 0
11 15 1 1 0 0 0
12 13 1 0 0 0 0
13 17 1 0 0 0 0
3 4 1 0 0 0 0
3 2 1 0 0 0 0
2 1 1 0 0 0 0
1 6 1 0 0 0 0
6 5 2 0 0 0 0
5 4 1 0 0 0 0
4 8 2 0 0 0 0
2 7 2 0 0 0 0
15 18 1 0 0 0 0
18 19 2 0 0 0 0
18 21 1 0 0 0 0
18 20 1 0 0 0 0
S SKP 7
ID BMMCPYUR0002
NAME 3'-UMP
FORMULA C9H13N2O9P
EXACTMASS 324.0358
AVERAGEMASS 324.1813
SMILES OC[C@@H](O1)[C@@H](OP(O)(O)=O)[C@@H](O)[C@@H]1N(C=2)C(=O)NC(=O)C2
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01368
M END
