Mol:BMAXS4AN0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 8 7 0 0 1 0 0 0 0 0999 V2000 | + | 8 7 0 0 1 0 0 0 0 0999 V2000 |
| − | 3.7321 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 2.8660 0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2 4 1 6 0 0 0 | + | 2 4 1 6 0 0 0 |
| − | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
| − | 1 7 2 0 0 0 0 | + | 1 7 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 1 8 1 0 0 0 0 | + | 1 8 1 0 0 0 0 |
| − | 3 5 1 0 0 0 0 | + | 3 5 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 BMAXS4AN0001 | + | ID BMAXS4AN0001 |
| − | NAME 3-Cyano-L-alanine | + | NAME 3-Cyano-L-alanine |
| − | FORMULA C4H6N2O2 | + | FORMULA C4H6N2O2 |
| − | EXACTMASS 114.0429 | + | EXACTMASS 114.0429 |
| − | AVERAGEMASS 114.1027 | + | AVERAGEMASS 114.1027 |
| − | SMILES N#CC[C@H](N)C(O)=O | + | SMILES N#CC[C@H](N)C(O)=O |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02512 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02512 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
8 7 0 0 1 0 0 0 0 0999 V2000
3.7321 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 4 1 6 0 0 0
2 1 1 0 0 0 0
1 7 2 0 0 0 0
2 3 1 0 0 0 0
1 8 1 0 0 0 0
3 5 1 0 0 0 0
5 6 3 0 0 0 0
S SKP 7
ID BMAXS4AN0001
NAME 3-Cyano-L-alanine
FORMULA C4H6N2O2
EXACTMASS 114.0429
AVERAGEMASS 114.1027
SMILES N#CC[C@H](N)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02512
M END
