Mol:BMMCPYURS623
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 |
| − | 5.4641 -2.8875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 5.4641 -2.8875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -3.3875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 4.5981 -3.3875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -4.3875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 4.5981 -4.3875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -4.8875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 5.4641 -4.8875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 -4.3875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 6.3301 -4.3875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 -4.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 -4.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -2.8875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -2.8875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -1.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -1.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -6.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -6.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -5.8875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.7321 -5.8875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -6.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -6.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -1.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -1.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -1.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -1.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -4.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -4.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -7.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -7.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -5.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -5.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -5.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -5.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 -3.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 -3.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.0622 -4.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0622 -4.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.1500 4.9604 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.1500 4.9604 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.1445 4.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.1445 4.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.7323 5.6649 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.7323 5.6649 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.3255 6.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.3255 6.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.3310 6.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.3310 6.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.7432 5.8739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.7432 5.8739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.5512 3.9423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.5512 3.9423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.9133 7.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.9133 7.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.5622 4.1514 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 8.5622 4.1514 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 7.5622 4.1514 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 7.5622 4.1514 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 7.2532 3.2003 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 7.2532 3.2003 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 8.0622 2.6125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 8.0622 2.6125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 8.0622 1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0622 1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.9744 4.9604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.9744 4.9604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3021 2.8913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3021 2.8913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.8712 3.2003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.8712 3.2003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 1.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 1.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 0.1125 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 0.1125 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.1962 0.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.1962 0.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.1962 0.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.1962 0.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 -0.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 -0.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 -1.3875 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 -1.3875 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.8301 -0.5214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.8301 -0.5214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.8301 -2.2535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.8301 -2.2535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 32 36 1 6 0 0 0 | + | 32 36 1 6 0 0 0 |
| − | 32 31 1 0 0 0 0 | + | 32 31 1 0 0 0 0 |
| − | 29 36 1 6 0 0 0 | + | 29 36 1 6 0 0 0 |
| − | 31 30 1 0 0 0 0 | + | 31 30 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 29 21 1 0 0 0 0 | + | 29 21 1 0 0 0 0 |
| − | 30 34 1 1 0 0 0 | + | 30 34 1 1 0 0 0 |
| − | 31 35 1 1 0 0 0 | + | 31 35 1 1 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 23 22 1 0 0 0 0 | + | 23 22 1 0 0 0 0 |
| − | 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 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 |
| − | 42 13 1 0 0 0 0 | + | 42 13 1 0 0 0 0 |
| − | 42 44 1 0 0 0 0 | + | 42 44 1 0 0 0 0 |
| − | 42 43 2 0 0 0 0 | + | 42 43 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 1 0 0 0 | + | 1 19 1 1 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 4 18 1 1 0 0 0 | + | 4 18 1 1 0 0 0 |
| − | 3 15 1 6 0 0 0 | + | 3 15 1 6 0 0 0 |
| − | 2 7 1 1 0 0 0 | + | 2 7 1 1 0 0 0 |
| − | 1 13 1 0 0 0 0 | + | 1 13 1 0 0 0 0 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
| − | 15 11 1 0 0 0 0 | + | 15 11 1 0 0 0 0 |
| − | 11 12 1 6 0 0 0 | + | 11 12 1 6 0 0 0 |
| − | 10 17 1 0 0 0 0 | + | 10 17 1 0 0 0 0 |
| − | 10 16 2 0 0 0 0 | + | 10 16 2 0 0 0 0 |
| − | 11 10 1 0 0 0 0 | + | 11 10 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 14 2 0 0 0 0 | + | 8 14 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 BMMCPYURS623 | + | ID BMMCPYURS623 |
| − | NAME UDP-N-acetylmuramic acid | + | NAME UDP-N-acetylmuramic acid |
| − | FORMULA C20H31N3O19P2 | + | FORMULA C20H31N3O19P2 |
| − | EXACTMASS 679.1026 | + | EXACTMASS 679.1026 |
| − | AVERAGEMASS 679.4164 | + | AVERAGEMASS 679.4164 |
| − | SMILES OC[C@H]([C@@H](O)1)O[C@H](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]1O[C@H](C)C(O)=O | + | SMILES OC[C@H]([C@@H](O)1)O[C@H](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]1O[C@H](C)C(O)=O |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01050 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01050 |
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
5.4641 -2.8875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5981 -3.3875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5981 -4.3875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.4641 -4.8875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.3301 -4.3875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.1962 -4.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.8875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -6.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -5.8875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5981 -6.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -4.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -7.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -5.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -5.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -3.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -4.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.1500 4.9604 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.1445 4.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7323 5.6649 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.3255 6.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3310 6.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7432 5.8739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5512 3.9423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.9133 7.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.5622 4.1514 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.5622 4.1514 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.2532 3.2003 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.0622 2.6125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.0622 1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9744 4.9604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3021 2.8913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.8712 3.2003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 1.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.1125 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
6.1962 0.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1962 0.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.3875 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
5.8301 -0.5214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8301 -2.2535 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 39 1 0 0 0 0
38 40 2 0 0 0 0
42 13 1 0 0 0 0
42 44 1 0 0 0 0
42 43 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 1 0 0 0
5 6 1 0 0 0 0
4 18 1 1 0 0 0
3 15 1 6 0 0 0
2 7 1 1 0 0 0
1 13 1 0 0 0 0
6 20 1 0 0 0 0
15 11 1 0 0 0 0
11 12 1 6 0 0 0
10 17 1 0 0 0 0
10 16 2 0 0 0 0
11 10 1 0 0 0 0
7 8 1 0 0 0 0
8 14 2 0 0 0 0
8 9 1 0 0 0 0
S SKP 7
ID BMMCPYURS623
NAME UDP-N-acetylmuramic acid
FORMULA C20H31N3O19P2
EXACTMASS 679.1026
AVERAGEMASS 679.4164
SMILES OC[C@H]([C@@H](O)1)O[C@H](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]1O[C@H](C)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01050
M END
