Mol:BMAXS5ANj008
From Metabolomics.JP
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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 |
| − | 6.3301 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 1.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 5.4641 1.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7320 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7320 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7320 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7320 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7320 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7320 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5 4 1 0 0 0 0 | + | 5 4 1 0 0 0 0 |
| − | 5 7 1 0 0 0 0 | + | 5 7 1 0 0 0 0 |
| − | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
| − | 2 6 1 1 0 0 0 | + | 2 6 1 1 0 0 0 |
| − | 1 12 1 0 0 0 0 | + | 1 12 1 0 0 0 0 |
| − | 1 13 2 0 0 0 0 | + | 1 13 2 0 0 0 0 |
| − | 10 9 1 0 0 0 0 | + | 10 9 1 0 0 0 0 |
| − | 8 6 1 0 0 0 0 | + | 8 6 1 0 0 0 0 |
| − | 8 14 2 0 0 0 0 | + | 8 14 2 0 0 0 0 |
| − | 9 8 1 0 0 0 0 | + | 9 8 1 0 0 0 0 |
| − | 11 16 1 0 0 0 0 | + | 11 16 1 0 0 0 0 |
| − | 11 15 2 0 0 0 0 | + | 11 15 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMAXS5ANj008 | + | ID BMAXS5ANj008 |
| − | NAME | + | NAME (2S) -5-Amino-2- [(4-hydroxy-4-oxobutanoyl) amino] pentanoic acid |
| − | FORMULA C9H16N2O5 | + | CAS_RN 99590-80-4 |
| − | EXACTMASS 232.1059 | + | FORMULA C9H16N2O5 |
| − | AVERAGEMASS 232.2338 | + | EXACTMASS 232.1059 |
| − | SMILES NCCC[C@H](NC(=O)CCC(O)=O)C(O)=O | + | AVERAGEMASS 232.2338 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03415 | + | SMILES NCCC[C@H](NC(=O)CCC(O)=O)C(O)=O |
| + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03415 | ||
M END | M END | ||
| − | |||
Latest revision as of 17:27, 11 June 2010
Copyright: ARM project http://www.metabolome.jp/
16 15 0 0 1 0 0 0 0 0999 V2000
6.3301 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.5981 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5 4 1 0 0 0 0
5 7 1 0 0 0 0
4 3 1 0 0 0 0
2 3 1 0 0 0 0
2 1 1 0 0 0 0
2 6 1 1 0 0 0
1 12 1 0 0 0 0
1 13 2 0 0 0 0
10 9 1 0 0 0 0
8 6 1 0 0 0 0
8 14 2 0 0 0 0
9 8 1 0 0 0 0
11 16 1 0 0 0 0
11 15 2 0 0 0 0
10 11 1 0 0 0 0
S SKP 7
ID BMAXS5ANj008
NAME (2S) -5-Amino-2- [(4-hydroxy-4-oxobutanoyl) amino] pentanoic acid
CAS_RN 99590-80-4
FORMULA C9H16N2O5
EXACTMASS 232.1059
AVERAGEMASS 232.2338
SMILES NCCC[C@H](NC(=O)CCC(O)=O)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03415
M END
