Mol:BMMCPYURS617
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 44 46 0 0 1 0 0 0 0 0999 V2000 | + | 44 46 0 0 1 0 0 0 0 0999 V2000 |
| − | 4.9836 1.6468 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 4.9836 1.6468 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 5.3903 2.5604 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 5.3903 2.5604 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
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| − | 3.8080 3.2649 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.8080 3.2649 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 3.4013 2.3513 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.4013 2.3513 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.4067 2.2468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4067 2.2468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 9.9522 -5.3145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.9522 -5.3145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 11.6843 -4.3145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.6843 -4.3145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.0862 -3.8145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.0862 -3.8145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.8183 -6.8145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.8183 -6.8145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.8183 -2.8145 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 10.8183 -2.8145 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 11.6273 -2.2267 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 11.6273 -2.2267 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 11.3183 -1.2757 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 11.3183 -1.2757 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 10.3183 -1.2757 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 10.3183 -1.2757 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 9.7305 -0.4666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.7305 -0.4666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 12.6273 -2.2267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.6273 -2.2267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.9061 -0.4666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.9061 -0.4666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.0093 -2.2267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.0093 -2.2267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.7360 -0.5712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.7360 -0.5712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.1482 0.2378 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.1482 0.2378 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.3392 -0.3499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.3392 -0.3499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.9572 0.8256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.9572 0.8256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 6.5659 0.9423 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.5659 0.9423 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 22 21 1 0 0 0 0 | + | 22 21 1 0 0 0 0 |
| − | 21 26 1 0 0 0 0 | + | 21 26 1 0 0 0 0 |
| − | 26 25 2 0 0 0 0 | + | 26 25 2 0 0 0 0 |
| − | 25 24 1 0 0 0 0 | + | 25 24 1 0 0 0 0 |
| − | 24 28 2 0 0 0 0 | + | 24 28 2 0 0 0 0 |
| − | 22 27 2 0 0 0 0 | + | 22 27 2 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 37 1 0 0 0 0 | + | 33 37 1 0 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 38 41 1 0 0 0 0 | + | 38 41 1 0 0 0 0 |
| − | 42 41 1 0 0 0 0 | + | 42 41 1 0 0 0 0 |
| − | 38 40 1 0 0 0 0 | + | 38 40 1 0 0 0 0 |
| − | 38 39 2 0 0 0 0 | + | 38 39 2 0 0 0 0 |
| − | 42 13 1 0 0 0 0 | + | 42 13 1 0 0 0 0 |
| − | 42 43 1 0 0 0 0 | + | 42 43 1 0 0 0 0 |
| − | 42 44 2 0 0 0 0 | + | 42 44 2 0 0 0 0 |
| − | 5 19 1 6 0 0 0 | + | 5 19 1 6 0 0 0 |
| − | 5 4 1 0 0 0 0 | + | 5 4 1 0 0 0 0 |
| − | 4 3 1 0 0 0 0 | + | 4 3 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 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 1 13 1 4 0 0 0 | + | 1 13 1 4 0 0 0 |
| − | 3 15 1 6 0 0 0 | + | 3 15 1 6 0 0 0 |
| − | 4 18 1 1 0 0 0 | + | 4 18 1 1 0 0 0 |
| − | 2 7 1 1 0 0 0 | + | 2 7 1 1 0 0 0 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 8 14 2 0 0 0 0 | + | 8 14 2 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 11 15 1 0 0 0 0 | + | 11 15 1 0 0 0 0 |
| − | 10 16 1 0 0 0 0 | + | 10 16 1 0 0 0 0 |
| − | 10 17 2 0 0 0 0 | + | 10 17 2 0 0 0 0 |
| − | 11 10 1 0 0 0 0 | + | 11 10 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMMCPYURS617 | + | ID BMMCPYURS617 |
| − | NAME UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine | + | NAME UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine |
| − | FORMULA C20H29N3O19P2 | + | FORMULA C20H29N3O19P2 |
| − | EXACTMASS 677.087 | + | EXACTMASS 677.087 |
| − | AVERAGEMASS 677.4006 | + | AVERAGEMASS 677.4006 |
| − | SMILES OC[C@H]([C@@H](O)1)OC(OP(O)(=O)OP(OC[C@H]([C@H]3O)O[C@H]([C@@H]3O)N(C=2)C(NC(=O)C2)=O)(O)=O)[C@H](NC(C)=O)[C@H]1OC(=C)C(O)=O | + | SMILES OC[C@H]([C@@H](O)1)OC(OP(O)(=O)OP(OC[C@H]([C@H]3O)O[C@H]([C@@H]3O)N(C=2)C(NC(=O)C2)=O)(O)=O)[C@H](NC(C)=O)[C@H]1OC(=C)C(O)=O |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04631 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04631 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
44 46 0 0 1 0 0 0 0 0999 V2000
4.9836 1.6468 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
5.3903 2.5604 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.8025 3.3694 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.8080 3.2649 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.4013 2.3513 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.4067 2.2468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3848 2.6649 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.7916 3.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2038 4.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0282 6.0055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6215 5.0919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6269 4.9874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5714 0.8378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.7861 3.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2093 4.2829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0227 6.1100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4404 6.8145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2202 4.0739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9890 1.5423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.3332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.8183 -3.8145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.9522 -4.3145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9522 -5.3145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.8183 -5.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6843 -5.3145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6843 -4.3145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0862 -3.8145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.8183 -6.8145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.8183 -2.8145 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
11.6273 -2.2267 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
11.3183 -1.2757 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
10.3183 -1.2757 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
9.7305 -0.4666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.6273 -2.2267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.9061 -0.4666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.0093 -2.2267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.7360 -0.5712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1482 0.2378 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
7.3392 -0.3499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9572 0.8256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.5604 1.0469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5659 0.9423 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
6.6704 -0.0522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4613 1.9369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
32 36 1 6 0 0 0
32 31 1 0 0 0 0
29 36 1 6 0 0 0
31 30 1 0 0 0 0
29 30 1 0 0 0 0
29 21 1 0 0 0 0
30 34 1 1 0 0 0
31 35 1 1 0 0 0
23 24 1 0 0 0 0
23 22 1 0 0 0 0
22 21 1 0 0 0 0
21 26 1 0 0 0 0
26 25 2 0 0 0 0
25 24 1 0 0 0 0
24 28 2 0 0 0 0
22 27 2 0 0 0 0
32 33 1 0 0 0 0
33 37 1 0 0 0 0
37 38 1 0 0 0 0
38 41 1 0 0 0 0
42 41 1 0 0 0 0
38 40 1 0 0 0 0
38 39 2 0 0 0 0
42 13 1 0 0 0 0
42 43 1 0 0 0 0
42 44 2 0 0 0 0
5 19 1 6 0 0 0
5 4 1 0 0 0 0
4 3 1 0 0 0 0
3 2 1 0 0 0 0
2 1 1 0 0 0 0
1 19 1 0 0 0 0
5 6 1 0 0 0 0
1 13 1 4 0 0 0
3 15 1 6 0 0 0
4 18 1 1 0 0 0
2 7 1 1 0 0 0
6 20 1 0 0 0 0
8 9 1 0 0 0 0
8 14 2 0 0 0 0
7 8 1 0 0 0 0
11 12 2 0 0 0 0
11 15 1 0 0 0 0
10 16 1 0 0 0 0
10 17 2 0 0 0 0
11 10 1 0 0 0 0
S SKP 7
ID BMMCPYURS617
NAME UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine
FORMULA C20H29N3O19P2
EXACTMASS 677.087
AVERAGEMASS 677.4006
SMILES OC[C@H]([C@@H](O)1)OC(OP(O)(=O)OP(OC[C@H]([C@H]3O)O[C@H]([C@@H]3O)N(C=2)C(NC(=O)C2)=O)(O)=O)[C@H](NC(C)=O)[C@H]1OC(=C)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04631
M END
