Mol:BMAXDP--n007
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 17 16 0 0 1 0 0 0 0 0999 V2000 | + | 17 16 0 0 1 0 0 0 0 0999 V2000 |
| − | 4.5981 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -1.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 4.5981 -1.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 1.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 7.1962 1.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.0622 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0622 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7320 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7320 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.0622 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0622 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7 15 2 0 0 0 0 | + | 7 15 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 8 12 1 4 0 0 0 | + | 8 12 1 4 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 11 17 2 0 0 0 0 | + | 11 17 2 0 0 0 0 |
| − | 11 4 1 0 0 0 0 | + | 11 4 1 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 8 7 1 0 0 0 0 | + | 8 7 1 0 0 0 0 |
| − | 3 5 1 0 0 0 0 | + | 3 5 1 0 0 0 0 |
| − | 2 4 1 4 0 0 0 | + | 2 4 1 4 0 0 0 |
| − | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 1 14 1 0 0 0 0 | + | 1 14 1 0 0 0 0 |
| − | 1 13 2 0 0 0 0 | + | 1 13 2 0 0 0 0 |
| − | 7 16 1 0 0 0 0 | + | 7 16 1 0 0 0 0 |
| − | 5 6 3 0 0 0 0 | + | 5 6 3 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMAXDP--n007 | + | ID BMAXDP--n007 |
| − | NAME Glutamyl-cyano-alanine | + | NAME Glutamyl-cyano-alanine |
| − | FORMULA C9H13N3O5 | + | FORMULA C9H13N3O5 |
| − | EXACTMASS 243.0855 | + | EXACTMASS 243.0855 |
| − | AVERAGEMASS 243.2167 | + | AVERAGEMASS 243.2167 |
| − | SMILES N#CCC(NC(=O)CCC(N)C(O)=O)C(O)=O | + | SMILES N#CCC(NC(=O)CCC(N)C(O)=O)C(O)=O |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05711 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05711 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
17 16 0 0 1 0 0 0 0 0999 V2000
4.5981 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
3.7321 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 1.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
6.3301 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7 15 2 0 0 0 0
10 11 1 0 0 0 0
8 12 1 4 0 0 0
8 9 1 0 0 0 0
11 17 2 0 0 0 0
11 4 1 0 0 0 0
2 3 1 0 0 0 0
8 7 1 0 0 0 0
3 5 1 0 0 0 0
2 4 1 4 0 0 0
2 1 1 0 0 0 0
9 10 1 0 0 0 0
1 14 1 0 0 0 0
1 13 2 0 0 0 0
7 16 1 0 0 0 0
5 6 3 0 0 0 0
S SKP 7
ID BMAXDP--n007
NAME Glutamyl-cyano-alanine
FORMULA C9H13N3O5
EXACTMASS 243.0855
AVERAGEMASS 243.2167
SMILES N#CCC(NC(=O)CCC(N)C(O)=O)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05711
M END
