Mol:BMAAS3HLd001
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 7 6 0 0 1 0 0 0 0 0999 V2000 | + | 7 6 0 0 1 0 0 0 0 0999 V2000 |
| − | 3.7320 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7320 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.7321 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 0.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 0.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2 4 1 1 0 0 0 | + | 2 4 1 1 0 0 0 |
| − | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
| − | 1 5 2 0 0 0 0 | + | 1 5 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 1 6 1 0 0 0 0 | + | 1 6 1 0 0 0 0 |
| − | 3 7 1 0 0 0 0 | + | 3 7 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMAAS3HLd001 | + | ID BMAAS3HLd001 |
| − | NAME 3-Chloro-D-alanine | + | NAME 3-Chloro-D-alanine |
| − | FORMULA C3H6ClNO2 | + | FORMULA C3H6ClNO2 |
| − | EXACTMASS 123.0087 | + | EXACTMASS 123.0087 |
| − | AVERAGEMASS 123.5379 | + | AVERAGEMASS 123.5379 |
| − | SMILES N[C@H](CCl)C(O)=O | + | SMILES N[C@H](CCl)C(O)=O |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02634 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02634 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
7 6 0 0 1 0 0 0 0 0999 V2000
3.7320 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.8660 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2 4 1 1 0 0 0
2 1 1 0 0 0 0
1 5 2 0 0 0 0
2 3 1 0 0 0 0
1 6 1 0 0 0 0
3 7 1 0 0 0 0
S SKP 7
ID BMAAS3HLd001
NAME 3-Chloro-D-alanine
FORMULA C3H6ClNO2
EXACTMASS 123.0087
AVERAGEMASS 123.5379
SMILES N[C@H](CCl)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02634
M END
