Mol:BMMCPYURS602
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 38 40 0 0 1 0 0 0 0 0999 V2000 | + | 38 40 0 0 1 0 0 0 0 0999 V2000 |
| − | 4.5768 2.8603 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 4.5768 2.8603 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 4.9836 3.7739 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 4.9836 3.7739 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 4.3958 4.5829 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 4.3958 4.5829 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 3.4013 4.4784 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.4013 4.4784 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.9945 3.5648 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.9945 3.5648 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 3.4603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 3.4603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1646 2.0513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1646 2.0513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.9781 3.8784 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.9781 3.8784 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3848 4.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3848 4.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.7970 5.6010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.7970 5.6010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.3793 4.8965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.3793 4.8965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8025 5.4965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8025 5.4965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8135 5.2874 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8135 5.2874 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5823 2.7558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5823 2.7558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.4115 -2.6010 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.4115 -2.6010 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.5455 -3.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.5455 -3.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.5455 -4.1010 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.5455 -4.1010 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.4115 -4.6010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.4115 -4.6010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.2776 -4.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.2776 -4.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.2776 -3.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.2776 -3.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.6795 -2.6010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.6795 -2.6010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.4115 -5.6010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.4115 -5.6010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.4115 -1.6010 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 10.4115 -1.6010 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 11.2206 -1.0132 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 11.2206 -1.0132 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 10.9115 -0.0621 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 10.9115 -0.0621 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 9.9115 -0.0621 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 9.9115 -0.0621 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 9.3238 0.7469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.3238 0.7469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 12.2206 -1.0132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.2206 -1.0132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.4993 0.7469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.4993 0.7469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.6025 -1.0132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.6025 -1.0132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.3292 0.6423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.3292 0.6423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.7414 1.4514 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.7414 1.4514 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.9324 0.8636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.9324 0.8636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.5505 2.0392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.5505 2.0392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1537 2.2604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1537 2.2604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.1591 2.1559 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.1591 2.1559 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.2637 1.1613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.2637 1.1613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.0546 3.1504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.0546 3.1504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 26 30 1 6 0 0 0 | + | 26 30 1 6 0 0 0 |
| − | 26 25 1 0 0 0 0 | + | 26 25 1 0 0 0 0 |
| − | 23 30 1 6 0 0 0 | + | 23 30 1 6 0 0 0 |
| − | 25 24 1 0 0 0 0 | + | 25 24 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 23 15 1 0 0 0 0 | + | 23 15 1 0 0 0 0 |
| − | 24 28 1 1 0 0 0 | + | 24 28 1 1 0 0 0 |
| − | 25 29 1 1 0 0 0 | + | 25 29 1 1 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 17 16 1 0 0 0 0 | + | 17 16 1 0 0 0 0 |
| − | 16 15 1 0 0 0 0 | + | 16 15 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 20 19 2 0 0 0 0 | + | 20 19 2 0 0 0 0 |
| − | 19 18 1 0 0 0 0 | + | 19 18 1 0 0 0 0 |
| − | 18 22 2 0 0 0 0 | + | 18 22 2 0 0 0 0 |
| − | 16 21 2 0 0 0 0 | + | 16 21 2 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 31 1 0 0 0 0 | + | 27 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 32 35 1 0 0 0 0 | + | 32 35 1 0 0 0 0 |
| − | 36 35 1 0 0 0 0 | + | 36 35 1 0 0 0 0 |
| − | 32 34 1 0 0 0 0 | + | 32 34 1 0 0 0 0 |
| − | 32 33 2 0 0 0 0 | + | 32 33 2 0 0 0 0 |
| − | 36 7 1 0 0 0 0 | + | 36 7 1 0 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
| − | 36 38 2 0 0 0 0 | + | 36 38 2 0 0 0 0 |
| − | 5 14 1 0 0 0 0 | + | 5 14 1 0 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 6 0 0 0 | + | 5 6 1 6 0 0 0 |
| − | 1 7 1 4 0 0 0 | + | 1 7 1 4 0 0 0 |
| − | 3 12 1 6 0 0 0 | + | 3 12 1 6 0 0 0 |
| − | 4 13 1 1 0 0 0 | + | 4 13 1 1 0 0 0 |
| − | 2 8 1 1 0 0 0 | + | 2 8 1 1 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 9 11 2 0 0 0 0 | + | 9 11 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMMCPYURS602 | + | ID BMMCPYURS602 |
| − | NAME UDP-2-acetamido-4-amino-2,4,6-trideoxy-glucose | + | NAME UDP-2-acetamido-4-amino-2,4,6-trideoxy-glucose |
| − | FORMULA C17H28N4O15P2 | + | FORMULA C17H28N4O15P2 |
| − | EXACTMASS 590.1026 | + | EXACTMASS 590.1026 |
| − | AVERAGEMASS 590.3697 | + | AVERAGEMASS 590.3697 |
| − | SMILES CC(=O)N[C@H]([C@@H](O)3)C(O[C@H](C)[C@@H](N)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)[C@@H](N)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+C04630 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04630 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
38 40 0 0 1 0 0 0 0 0999 V2000
4.5768 2.8603 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
4.9836 3.7739 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.3958 4.5829 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.4013 4.4784 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.9945 3.5648 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.0000 3.4603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1646 2.0513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9781 3.8784 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3848 4.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7970 5.6010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3793 4.8965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8025 5.4965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8135 5.2874 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5823 2.7558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.4115 -2.6010 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.5455 -3.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5455 -4.1010 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.4115 -4.6010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2776 -4.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2776 -3.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6795 -2.6010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.4115 -5.6010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.4115 -1.6010 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
11.2206 -1.0132 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
10.9115 -0.0621 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
9.9115 -0.0621 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
9.3238 0.7469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2206 -1.0132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.4993 0.7469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.6025 -1.0132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.3292 0.6423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.7414 1.4514 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
6.9324 0.8636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.5505 2.0392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1537 2.2604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1591 2.1559 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
6.2637 1.1613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0546 3.1504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
26 30 1 6 0 0 0
26 25 1 0 0 0 0
23 30 1 6 0 0 0
25 24 1 0 0 0 0
23 24 1 0 0 0 0
23 15 1 0 0 0 0
24 28 1 1 0 0 0
25 29 1 1 0 0 0
17 18 1 0 0 0 0
17 16 1 0 0 0 0
16 15 1 0 0 0 0
15 20 1 0 0 0 0
20 19 2 0 0 0 0
19 18 1 0 0 0 0
18 22 2 0 0 0 0
16 21 2 0 0 0 0
26 27 1 0 0 0 0
27 31 1 0 0 0 0
31 32 1 0 0 0 0
32 35 1 0 0 0 0
36 35 1 0 0 0 0
32 34 1 0 0 0 0
32 33 2 0 0 0 0
36 7 1 0 0 0 0
36 37 1 0 0 0 0
36 38 2 0 0 0 0
5 14 1 0 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 6 0 0 0
1 7 1 4 0 0 0
3 12 1 6 0 0 0
4 13 1 1 0 0 0
2 8 1 1 0 0 0
9 10 1 0 0 0 0
9 11 2 0 0 0 0
8 9 1 0 0 0 0
S SKP 7
ID BMMCPYURS602
NAME UDP-2-acetamido-4-amino-2,4,6-trideoxy-glucose
FORMULA C17H28N4O15P2
EXACTMASS 590.1026
AVERAGEMASS 590.3697
SMILES CC(=O)N[C@H]([C@@H](O)3)C(O[C@H](C)[C@@H](N)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+C04630
M END
