Mol:BMMCPYURS604
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 35 37 0 0 1 0 0 0 0 0999 V2000 | + | 35 37 0 0 1 0 0 0 0 0999 V2000 |
| − | 6.3581 -3.6375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 6.3581 -3.6375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 5.4921 -4.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4921 -4.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4921 -5.1375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 5.4921 -5.1375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 6.3581 -5.6375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 6.3581 -5.6375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 7.2242 -5.1375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 7.2242 -5.1375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 8.0902 -5.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0902 -5.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3581 -2.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3581 -2.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6261 -5.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6261 -5.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3581 -6.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3581 -6.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.2242 -4.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.2242 -4.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.9562 -5.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.9562 -5.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8479 4.2104 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8479 4.2104 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.8424 4.1059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.8424 4.1059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.4302 4.9149 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.4302 4.9149 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.0234 5.8284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.0234 5.8284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0289 5.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0289 5.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4411 5.1239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4411 5.1239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.2491 3.1923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.2491 3.1923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.6112 6.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.6112 6.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2601 3.4014 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 4.2601 3.4014 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 3.2601 3.4014 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.2601 3.4014 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.9511 2.4503 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.9511 2.4503 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 3.7601 1.8625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.7601 1.8625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 3.7601 0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7601 0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6723 4.2104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6723 4.2104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 2.1413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 2.1413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5691 2.4503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5691 2.4503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6261 0.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6261 0.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6261 -0.6375 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6261 -0.6375 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6261 -0.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6261 -0.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.6261 -0.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.6261 -0.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6261 -1.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6261 -1.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4921 -2.1375 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4921 -2.1375 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9921 -3.0035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9921 -3.0035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.9921 -1.2714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.9921 -1.2714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 23 27 1 6 0 0 0 | + | 23 27 1 6 0 0 0 |
| − | 23 22 1 0 0 0 0 | + | 23 22 1 0 0 0 0 |
| − | 20 27 1 6 0 0 0 | + | 20 27 1 6 0 0 0 |
| − | 22 21 1 0 0 0 0 | + | 22 21 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 20 12 1 0 0 0 0 | + | 20 12 1 0 0 0 0 |
| − | 21 25 1 1 0 0 0 | + | 21 25 1 1 0 0 0 |
| − | 22 26 1 1 0 0 0 | + | 22 26 1 1 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 14 13 1 0 0 0 0 | + | 14 13 1 0 0 0 0 |
| − | 13 12 1 0 0 0 0 | + | 13 12 1 0 0 0 0 |
| − | 12 17 1 0 0 0 0 | + | 12 17 1 0 0 0 0 |
| − | 17 16 2 0 0 0 0 | + | 17 16 2 0 0 0 0 |
| − | 16 15 1 0 0 0 0 | + | 16 15 1 0 0 0 0 |
| − | 15 19 2 0 0 0 0 | + | 15 19 2 0 0 0 0 |
| − | 13 18 2 0 0 0 0 | + | 13 18 2 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 32 1 0 0 0 0 | + | 29 32 1 0 0 0 0 |
| − | 33 32 1 0 0 0 0 | + | 33 32 1 0 0 0 0 |
| − | 29 31 1 0 0 0 0 | + | 29 31 1 0 0 0 0 |
| − | 29 30 2 0 0 0 0 | + | 29 30 2 0 0 0 0 |
| − | 33 7 1 0 0 0 0 | + | 33 7 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 33 35 2 0 0 0 0 | + | 33 35 2 0 0 0 0 |
| − | 11 6 1 0 0 0 0 | + | 11 6 1 0 0 0 0 |
| − | 5 10 1 6 0 0 0 | + | 5 10 1 6 0 0 0 |
| − | 10 1 1 0 0 0 0 | + | 10 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 |
| − | 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 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 1 7 1 4 0 0 0 | + | 1 7 1 4 0 0 0 |
| − | 3 8 1 6 0 0 0 | + | 3 8 1 6 0 0 0 |
| − | 4 9 1 1 0 0 0 | + | 4 9 1 1 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMMCPYURS604 | + | ID BMMCPYURS604 |
| − | NAME UDP-2-deoxyglucose | + | NAME UDP-2-deoxyglucose |
| − | FORMULA C15H24N2O16P2 | + | FORMULA C15H24N2O16P2 |
| − | EXACTMASS 550.0601 | + | EXACTMASS 550.0601 |
| − | AVERAGEMASS 550.3024 | + | AVERAGEMASS 550.3024 |
| − | SMILES OC[C@@H](O1)[C@@H](O)[C@H](O)CC1OP(O)(=O)OP(O)(=O)OC[C@@H](O2)[C@@H](O)[C@@H](O)[C@@H]2N(C=3)C(=O)NC(=O)C3 | + | SMILES OC[C@@H](O1)[C@@H](O)[C@H](O)CC1OP(O)(=O)OP(O)(=O)OC[C@@H](O2)[C@@H](O)[C@@H](O)[C@@H]2N(C=3)C(=O)NC(=O)C3 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01009 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01009 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
35 37 0 0 1 0 0 0 0 0999 V2000
6.3581 -3.6375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
5.4921 -4.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4921 -5.1375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.3581 -5.6375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.2242 -5.1375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.0902 -5.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3581 -2.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6261 -5.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3581 -6.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2242 -4.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9562 -5.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8479 4.2104 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.8424 4.1059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4302 4.9149 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.0234 5.8284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0289 5.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4411 5.1239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2491 3.1923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6112 6.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2601 3.4014 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.2601 3.4014 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.9511 2.4503 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.7601 1.8625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.7601 0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6723 4.2104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.1413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5691 2.4503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6261 0.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6261 -0.6375 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
3.6261 -0.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6261 -0.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6261 -1.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4921 -2.1375 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
4.9921 -3.0035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9921 -1.2714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
23 27 1 6 0 0 0
23 22 1 0 0 0 0
20 27 1 6 0 0 0
22 21 1 0 0 0 0
20 21 1 0 0 0 0
20 12 1 0 0 0 0
21 25 1 1 0 0 0
22 26 1 1 0 0 0
14 15 1 0 0 0 0
14 13 1 0 0 0 0
13 12 1 0 0 0 0
12 17 1 0 0 0 0
17 16 2 0 0 0 0
16 15 1 0 0 0 0
15 19 2 0 0 0 0
13 18 2 0 0 0 0
23 24 1 0 0 0 0
24 28 1 0 0 0 0
28 29 1 0 0 0 0
29 32 1 0 0 0 0
33 32 1 0 0 0 0
29 31 1 0 0 0 0
29 30 2 0 0 0 0
33 7 1 0 0 0 0
33 34 1 0 0 0 0
33 35 2 0 0 0 0
11 6 1 0 0 0 0
5 10 1 6 0 0 0
10 1 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 1 0 0 0 0
1 7 1 4 0 0 0
3 8 1 6 0 0 0
4 9 1 1 0 0 0
S SKP 7
ID BMMCPYURS604
NAME UDP-2-deoxyglucose
FORMULA C15H24N2O16P2
EXACTMASS 550.0601
AVERAGEMASS 550.3024
SMILES OC[C@@H](O1)[C@@H](O)[C@H](O)CC1OP(O)(=O)OP(O)(=O)OC[C@@H](O2)[C@@H](O)[C@@H](O)[C@@H]2N(C=3)C(=O)NC(=O)C3
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01009
M END
