Mol:BMAXDP--0004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 15 14 0 0 1 0 0 0 0 0999 V2000 | + | 15 14 0 0 1 0 0 0 0 0999 V2000 |
| − | 7.1962 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 1.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 6.3301 1.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 1.7500 0.0000 N 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 |
| − | 5.4641 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -2.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -2.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.0622 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0622 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 2.7500 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 |
| − | 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 |
| − | 9 7 1 0 0 0 0 | + | 9 7 1 0 0 0 0 |
| − | 9 15 2 0 0 0 0 | + | 9 15 2 0 0 0 0 |
| − | 11 10 1 0 0 0 0 | + | 11 10 1 0 0 0 0 |
| − | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
| − | 2 7 1 1 0 0 0 | + | 2 7 1 1 0 0 0 |
| − | 1 13 2 0 0 0 0 | + | 1 13 2 0 0 0 0 |
| − | 12 11 1 0 0 0 0 | + | 12 11 1 0 0 0 0 |
| − | 1 14 1 0 0 0 0 | + | 1 14 1 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 10 9 1 0 0 0 0 | + | 10 9 1 0 0 0 0 |
| − | 6 8 1 0 0 0 0 | + | 6 8 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMAXDP--0004 | + | ID BMAXDP--0004 |
| − | NAME beta-Alanyl-L-lysine | + | NAME beta-Alanyl-L-lysine |
| − | FORMULA C9H19N3O3 | + | FORMULA C9H19N3O3 |
| − | EXACTMASS 217.1426 | + | EXACTMASS 217.1426 |
| − | AVERAGEMASS 217.2655 | + | AVERAGEMASS 217.2655 |
| − | SMILES NCCCC[C@H](NC(=O)CCN)C(O)=O | + | SMILES NCCCC[C@H](NC(=O)CCN)C(O)=O |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05341 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05341 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
15 14 0 0 1 0 0 0 0 0999 V2000
7.1962 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.4641 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.7500 0.0000 N 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 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 2.7500 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
3 4 1 0 0 0 0
4 5 1 0 0 0 0
9 7 1 0 0 0 0
9 15 2 0 0 0 0
11 10 1 0 0 0 0
2 1 1 0 0 0 0
2 7 1 1 0 0 0
1 13 2 0 0 0 0
12 11 1 0 0 0 0
1 14 1 0 0 0 0
2 3 1 0 0 0 0
5 6 1 0 0 0 0
10 9 1 0 0 0 0
6 8 1 0 0 0 0
S SKP 7
ID BMAXDP--0004
NAME beta-Alanyl-L-lysine
FORMULA C9H19N3O3
EXACTMASS 217.1426
AVERAGEMASS 217.2655
SMILES NCCCC[C@H](NC(=O)CCN)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05341
M END
