Mol:BMSUD2NfCC01
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 33 0 0 1 0 0 0 0 0999 V2000 | + | 32 33 0 0 1 0 0 0 0 0999 V2000 |
| − | 6.3301 -1.6830 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 6.3301 -1.6830 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 -2.6830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 6.3301 -2.6830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 -3.1830 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 7.1962 -3.1830 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 8.0622 -2.6830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 8.0622 -2.6830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 8.0622 -1.6830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 8.0622 -1.6830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 8.9282 -1.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.9282 -1.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 1.3170 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 4.5981 1.3170 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 0.3170 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 4.5981 0.3170 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -0.1830 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 5.4641 -0.1830 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 0.3170 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 6.3301 0.3170 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 1.3170 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 6.3301 1.3170 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 1.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 1.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -3.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -3.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 -4.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 -4.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.9282 -3.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.9282 -3.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 -1.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 -1.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.7942 -1.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.7942 -1.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.9282 -0.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.9282 -0.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 1.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 1.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -0.1830 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -0.1830 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 0.3170 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 0.3170 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3660 -0.5490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3660 -0.5490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 0.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 0.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3660 1.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3660 1.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -1.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -1.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 -0.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 -0.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 1.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 1.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 2.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 2.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.0622 3.3170 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0622 3.3170 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.5622 2.4510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.5622 2.4510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.9282 3.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.9282 3.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.5622 4.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.5622 4.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11 27 1 6 0 0 0 | + | 11 27 1 6 0 0 0 |
| − | 27 7 1 0 0 0 0 | + | 27 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 7 19 1 4 0 0 0 | + | 7 19 1 4 0 0 0 |
| − | 8 20 1 1 0 0 0 | + | 8 20 1 1 0 0 0 |
| − | 9 25 1 6 0 0 0 | + | 9 25 1 6 0 0 0 |
| − | 10 26 1 1 0 0 0 | + | 10 26 1 1 0 0 0 |
| − | 12 28 1 0 0 0 0 | + | 12 28 1 0 0 0 0 |
| − | 18 6 1 0 0 0 0 | + | 18 6 1 0 0 0 0 |
| − | 5 16 1 6 0 0 0 | + | 5 16 1 6 0 0 0 |
| − | 16 1 1 0 0 0 0 | + | 16 1 1 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 1 25 1 4 0 0 0 | + | 1 25 1 4 0 0 0 |
| − | 2 13 1 1 0 0 0 | + | 2 13 1 1 0 0 0 |
| − | 3 14 1 6 0 0 0 | + | 3 14 1 6 0 0 0 |
| − | 4 15 1 1 0 0 0 | + | 4 15 1 1 0 0 0 |
| − | 6 17 2 0 0 0 0 | + | 6 17 2 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 24 2 0 0 0 0 | + | 21 24 2 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 21 23 2 0 0 0 0 | + | 21 23 2 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 30 2 0 0 0 0 | + | 29 30 2 0 0 0 0 |
| − | 29 32 1 0 0 0 0 | + | 29 32 1 0 0 0 0 |
| − | 29 31 2 0 0 0 0 | + | 29 31 2 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMSUD2NfCC01 | + | ID BMSUD2NfCC01 |
| − | NAME 3-D-Glucuronosyl-N2,6-disulfo-D-glucosamine | + | NAME 3-D-Glucuronosyl-N2,6-disulfo-D-glucosamine |
| − | FORMULA C12H21NO17S2 | + | FORMULA C12H21NO17S2 |
| − | EXACTMASS 515.025 | + | EXACTMASS 515.025 |
| − | AVERAGEMASS 515.4236 | + | AVERAGEMASS 515.4236 |
| − | SMILES OC(=O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)C1O[C@@H]([C@H](O)2)[C@H](C(O)O[C@H](COS(O)(=O)=O)2)NS(O)(=O)=O | + | SMILES OC(=O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)C1O[C@@H]([C@H](O)2)[C@H](C(O)O[C@H](COS(O)(=O)=O)2)NS(O)(=O)=O |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04674 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04674 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 33 0 0 1 0 0 0 0 0999 V2000
6.3301 -1.6830 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
6.3301 -2.6830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.1962 -3.1830 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.0622 -2.6830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.0622 -1.6830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.9282 -1.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.3170 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
4.5981 0.3170 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.4641 -0.1830 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.3301 0.3170 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.3301 1.3170 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.1962 1.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -3.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -4.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -3.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -1.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -1.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -0.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.1830 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.3170 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.3660 -0.5490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3660 1.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 2.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 3.3170 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
8.5622 2.4510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 3.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.5622 4.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11 27 1 6 0 0 0
27 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
7 19 1 4 0 0 0
8 20 1 1 0 0 0
9 25 1 6 0 0 0
10 26 1 1 0 0 0
12 28 1 0 0 0 0
18 6 1 0 0 0 0
5 16 1 6 0 0 0
16 1 1 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
1 25 1 4 0 0 0
2 13 1 1 0 0 0
3 14 1 6 0 0 0
4 15 1 1 0 0 0
6 17 2 0 0 0 0
20 21 1 0 0 0 0
21 24 2 0 0 0 0
21 22 1 0 0 0 0
21 23 2 0 0 0 0
28 29 1 0 0 0 0
29 30 2 0 0 0 0
29 32 1 0 0 0 0
29 31 2 0 0 0 0
S SKP 7
ID BMSUD2NfCC01
NAME 3-D-Glucuronosyl-N2,6-disulfo-D-glucosamine
FORMULA C12H21NO17S2
EXACTMASS 515.025
AVERAGEMASS 515.4236
SMILES OC(=O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)C1O[C@@H]([C@H](O)2)[C@H](C(O)O[C@H](COS(O)(=O)=O)2)NS(O)(=O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04674
M END
