Mol:BMSUM6Ui--01
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 16 15 0 0 1 0 0 0 0 0999 V2000 | + | 16 15 0 0 1 0 0 0 0 0999 V2000 |
| − | 5.4641 2.3400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 2.3400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 1.8400 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 4.5981 1.8400 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -0.3400 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 4.5981 -0.3400 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 3.7320 -0.8400 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.7320 -0.8400 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 3.7320 -1.8400 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.7320 -1.8400 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -2.3400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -2.3400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 2.3400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 2.3400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 1.8400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 1.8400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 0.8400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 0.8400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 2.3400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 2.3400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 1.8400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 1.8400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 3.3400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 3.3400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -0.8400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -0.8400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -0.3400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -0.3400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -2.3400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -2.3400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -3.3400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -3.3400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 11 2 0 0 0 0 | + | 1 11 2 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 |
| − | 2 7 1 1 0 0 0 | + | 2 7 1 1 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 1 12 1 0 0 0 0 | + | 1 12 1 0 0 0 0 |
| − | 3 13 1 1 0 0 0 | + | 3 13 1 1 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 4 14 1 1 0 0 0 | + | 4 14 1 1 0 0 0 |
| − | 5 15 1 6 0 0 0 | + | 5 15 1 6 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 16 1 0 0 0 0 | + | 6 16 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 10 2 0 0 0 0 | + | 8 10 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 BMSUM6Ui--01 | + | ID BMSUM6Ui--01 |
| − | NAME N-Acetyl-D-glucosaminic acid | + | NAME N-Acetyl-D-glucosaminic acid |
| − | FORMULA C8H15NO7 | + | FORMULA C8H15NO7 |
| − | EXACTMASS 237.0848 | + | EXACTMASS 237.0848 |
| − | AVERAGEMASS 237.2072 | + | AVERAGEMASS 237.2072 |
| − | SMILES OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](NC(C)=O)C(O)=O | + | SMILES OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](NC(C)=O)C(O)=O |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01133 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01133 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
16 15 0 0 1 0 0 0 0 0999 V2000
5.4641 2.3400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.8400 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5981 -0.3400 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.7320 -0.8400 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.7320 -1.8400 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.8660 -2.3400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 2.3400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.8400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.8400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.3400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.8400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 3.3400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.8400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.3400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.3400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.3400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 11 2 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
2 7 1 1 0 0 0
3 4 1 0 0 0 0
1 12 1 0 0 0 0
3 13 1 1 0 0 0
4 5 1 0 0 0 0
4 14 1 1 0 0 0
5 15 1 6 0 0 0
5 6 1 0 0 0 0
6 16 1 0 0 0 0
7 8 1 0 0 0 0
8 10 2 0 0 0 0
8 9 1 0 0 0 0
S SKP 7
ID BMSUM6Ui--01
NAME N-Acetyl-D-glucosaminic acid
FORMULA C8H15NO7
EXACTMASS 237.0848
AVERAGEMASS 237.2072
SMILES OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](NC(C)=O)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01133
M END
