Mol:BMMCPYURS622
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 40 42 0 0 1 0 0 0 0 0999 V2000 | + | 40 42 0 0 1 0 0 0 0 0999 V2000 |
| − | 5.1646 -0.7466 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 5.1646 -0.7466 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 4.7579 -1.6601 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 4.7579 -1.6601 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 3.7634 -1.7647 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 3.7634 -1.7647 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 3.1756 -0.9557 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.1756 -0.9557 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 3.5823 -0.0421 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.5823 -0.0421 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.9945 0.7669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9945 0.7669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.3457 -2.4692 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3457 -2.4692 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9389 -3.3827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9389 -3.3827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9444 -3.4872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9444 -3.4872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.1591 -0.6421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.1591 -0.6421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5267 -4.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5267 -4.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3566 -2.6782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3566 -2.6782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1810 -1.0602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1810 -1.0602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5768 0.0624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5768 0.0624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 0.6624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 0.6624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4013 1.6805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4013 1.6805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 12.8116 1.5757 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.8116 1.5757 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 13.6776 2.0757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 13.6776 2.0757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 14.5437 1.5757 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 14.5437 1.5757 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 14.5437 0.5757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 14.5437 0.5757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 13.6776 0.0757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 13.6776 0.0757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 12.8116 0.5757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.8116 0.5757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 13.6776 3.0757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 13.6776 3.0757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 15.4097 0.0757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 15.4097 0.0757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.9456 2.0757 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 11.9456 2.0757 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 11.8411 3.0703 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 11.8411 3.0703 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 10.8629 3.2782 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 10.8629 3.2782 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 10.3629 2.4122 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 10.3629 2.4122 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 9.3684 2.3076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.3684 2.3076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 12.5842 3.7394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.5842 3.7394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.4562 4.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.4562 4.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.0320 1.6690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.0320 1.6690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.9617 1.3941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.9617 1.3941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.9671 1.2895 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.9671 1.2895 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.0717 0.2950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0717 0.2950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.8626 2.2841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.8626 2.2841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.9726 1.1850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.9726 1.1850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.5659 0.2715 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.5659 0.2715 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.4794 -0.1353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.4794 -0.1353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.6523 0.6782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.6523 0.6782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 28 32 1 6 0 0 0 | + | 28 32 1 6 0 0 0 |
| − | 28 27 1 0 0 0 0 | + | 28 27 1 0 0 0 0 |
| − | 25 32 1 6 0 0 0 | + | 25 32 1 6 0 0 0 |
| − | 27 26 1 0 0 0 0 | + | 27 26 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 25 17 1 0 0 0 0 | + | 25 17 1 0 0 0 0 |
| − | 26 30 1 1 0 0 0 | + | 26 30 1 1 0 0 0 |
| − | 27 31 1 1 0 0 0 | + | 27 31 1 1 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 19 18 1 0 0 0 0 | + | 19 18 1 0 0 0 0 |
| − | 18 17 1 0 0 0 0 | + | 18 17 1 0 0 0 0 |
| − | 17 22 1 0 0 0 0 | + | 17 22 1 0 0 0 0 |
| − | 22 21 2 0 0 0 0 | + | 22 21 2 0 0 0 0 |
| − | 21 20 1 0 0 0 0 | + | 21 20 1 0 0 0 0 |
| − | 20 24 2 0 0 0 0 | + | 20 24 2 0 0 0 0 |
| − | 18 23 2 0 0 0 0 | + | 18 23 2 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 33 1 0 0 0 0 | + | 29 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 34 37 1 0 0 0 0 | + | 34 37 1 0 0 0 0 |
| − | 38 37 1 0 0 0 0 | + | 38 37 1 0 0 0 0 |
| − | 34 36 1 0 0 0 0 | + | 34 36 1 0 0 0 0 |
| − | 34 35 2 0 0 0 0 | + | 34 35 2 0 0 0 0 |
| − | 38 10 1 0 0 0 0 | + | 38 10 1 0 0 0 0 |
| − | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
| − | 38 40 2 0 0 0 0 | + | 38 40 2 0 0 0 0 |
| − | 5 14 1 1 0 0 0 | + | 5 14 1 1 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 14 1 0 0 0 0 | + | 1 14 1 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 3 12 1 1 0 0 0 | + | 3 12 1 1 0 0 0 |
| − | 2 7 1 1 0 0 0 | + | 2 7 1 1 0 0 0 |
| − | 4 13 1 6 0 0 0 | + | 4 13 1 6 0 0 0 |
| − | 6 16 1 0 0 0 0 | + | 6 16 1 0 0 0 0 |
| − | 1 10 1 4 0 0 0 | + | 1 10 1 4 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 8 11 2 0 0 0 0 | + | 8 11 2 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 6 15 2 0 0 0 0 | + | 6 15 2 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMMCPYURS622 | + | ID BMMCPYURS622 |
| − | NAME UDP-N-acetyl-D-mannosamino-uronic acid | + | NAME UDP-N-acetyl-D-mannosamino-uronic acid |
| − | FORMULA C17H25N3O18P2 | + | FORMULA C17H25N3O18P2 |
| − | EXACTMASS 621.0608 | + | EXACTMASS 621.0608 |
| − | AVERAGEMASS 621.3373 | + | AVERAGEMASS 621.3373 |
| − | SMILES CC(=O)N[C@@H]([C@@H](O)3)C(O[C@H](C(O)=O)[C@@H](O)3)OP(O)(=O)OP(O)(=O)OC[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H]1N(C=2)C(=O)NC(=O)C2 | + | SMILES CC(=O)N[C@@H]([C@@H](O)3)C(O[C@H](C(O)=O)[C@@H](O)3)OP(O)(=O)OP(O)(=O)OC[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H]1N(C=2)C(=O)NC(=O)C2 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06240 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06240 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
40 42 0 0 1 0 0 0 0 0999 V2000
5.1646 -0.7466 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
4.7579 -1.6601 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.7634 -1.7647 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.1756 -0.9557 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.5823 -0.0421 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.9945 0.7669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3457 -2.4692 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.9389 -3.3827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9444 -3.4872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1591 -0.6421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5267 -4.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3566 -2.6782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1810 -1.0602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5768 0.0624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.6624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4013 1.6805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.8116 1.5757 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
13.6776 2.0757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5437 1.5757 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
14.5437 0.5757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.6776 0.0757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.8116 0.5757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.6776 3.0757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
15.4097 0.0757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.9456 2.0757 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
11.8411 3.0703 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
10.8629 3.2782 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
10.3629 2.4122 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
9.3684 2.3076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.5842 3.7394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.4562 4.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.0320 1.6690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9617 1.3941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.9671 1.2895 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
8.0717 0.2950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.8626 2.2841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9726 1.1850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5659 0.2715 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
7.4794 -0.1353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6523 0.6782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
28 32 1 6 0 0 0
28 27 1 0 0 0 0
25 32 1 6 0 0 0
27 26 1 0 0 0 0
25 26 1 0 0 0 0
25 17 1 0 0 0 0
26 30 1 1 0 0 0
27 31 1 1 0 0 0
19 20 1 0 0 0 0
19 18 1 0 0 0 0
18 17 1 0 0 0 0
17 22 1 0 0 0 0
22 21 2 0 0 0 0
21 20 1 0 0 0 0
20 24 2 0 0 0 0
18 23 2 0 0 0 0
28 29 1 0 0 0 0
29 33 1 0 0 0 0
33 34 1 0 0 0 0
34 37 1 0 0 0 0
38 37 1 0 0 0 0
34 36 1 0 0 0 0
34 35 2 0 0 0 0
38 10 1 0 0 0 0
38 39 1 0 0 0 0
38 40 2 0 0 0 0
5 14 1 1 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 14 1 0 0 0 0
5 6 1 0 0 0 0
3 12 1 1 0 0 0
2 7 1 1 0 0 0
4 13 1 6 0 0 0
6 16 1 0 0 0 0
1 10 1 4 0 0 0
8 9 1 0 0 0 0
8 11 2 0 0 0 0
7 8 1 0 0 0 0
6 15 2 0 0 0 0
S SKP 7
ID BMMCPYURS622
NAME UDP-N-acetyl-D-mannosamino-uronic acid
FORMULA C17H25N3O18P2
EXACTMASS 621.0608
AVERAGEMASS 621.3373
SMILES CC(=O)N[C@@H]([C@@H](O)3)C(O[C@H](C(O)=O)[C@@H](O)3)OP(O)(=O)OP(O)(=O)OC[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H]1N(C=2)C(=O)NC(=O)C2
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06240
M END
