Mol:BMSUM6Nf--02
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 20 20 0 0 1 0 0 0 0 0999 V2000 | + | 20 20 0 0 1 0 0 0 0 0999 V2000 |
| − | 4.7321 0.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 4.7321 0.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 3.8660 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.8660 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 3.8660 -1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 3.8660 -1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 4.7321 -1.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 4.7321 -1.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 5.5981 -1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 5.5981 -1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 6.4641 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.4641 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7321 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7321 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0000 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0000 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0000 1.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0000 1.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0000 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0000 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0000 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0000 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0000 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0000 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7321 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7321 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5981 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5981 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.3301 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.3301 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.1962 -1.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.1962 -1.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.6962 -2.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.6962 -2.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.6962 -0.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.6962 -0.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.0622 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.0622 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5 15 1 6 0 0 0 | + | 5 15 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 15 1 0 0 0 0 | + | 1 15 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 13 1 6 0 0 0 | + | 3 13 1 6 0 0 0 |
| − | 4 14 1 1 0 0 0 | + | 4 14 1 1 0 0 0 |
| − | 2 8 1 1 0 0 0 | + | 2 8 1 1 0 0 0 |
| − | 6 16 1 0 0 0 0 | + | 6 16 1 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 17 19 1 0 0 0 0 | + | 17 19 1 0 0 0 0 |
| − | 17 20 2 0 0 0 0 | + | 17 20 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 9 12 2 0 0 0 0 | + | 9 12 2 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMSUM6Nf--02 | + | ID BMSUM6Nf--02 |
| − | NAME N2,6-Disulfo-D-glucosamine | + | NAME N2,6-Disulfo-D-glucosamine |
| − | FORMULA C6H13NO11S2 | + | FORMULA C6H13NO11S2 |
| − | EXACTMASS 338.993 | + | EXACTMASS 338.993 |
| − | AVERAGEMASS 339.2995 | + | AVERAGEMASS 339.2995 |
| − | SMILES OC(O1)[C@@H]([C@@H](O)[C@H](O)[C@H]1COS(O)(=O)=O)NS(O)(=O)=O | + | SMILES OC(O1)[C@@H]([C@@H](O)[C@H](O)[C@H]1COS(O)(=O)=O)NS(O)(=O)=O |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04567 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04567 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
20 20 0 0 1 0 0 0 0 0999 V2000
4.7321 0.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
3.8660 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.8660 -1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.7321 -1.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.5981 -1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.4641 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7321 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 1.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
4.0000 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7321 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5981 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3301 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1962 -1.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
7.6962 -2.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.6962 -0.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.0622 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5 15 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 15 1 0 0 0 0
5 6 1 0 0 0 0
1 7 1 4 0 0 0
3 13 1 6 0 0 0
4 14 1 1 0 0 0
2 8 1 1 0 0 0
6 16 1 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
17 19 1 0 0 0 0
17 20 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
9 11 1 0 0 0 0
9 12 2 0 0 0 0
S SKP 7
ID BMSUM6Nf--02
NAME N2,6-Disulfo-D-glucosamine
FORMULA C6H13NO11S2
EXACTMASS 338.993
AVERAGEMASS 339.2995
SMILES OC(O1)[C@@H]([C@@H](O)[C@H](O)[C@H]1COS(O)(=O)=O)NS(O)(=O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04567
M END
