Mol:BMACIZANr002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 12 12 0 0 1 0 0 0 0 0999 V2000 | + | 12 12 0 0 1 0 0 0 0 0999 V2000 |
| − | 2.3090 1.3416 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3090 1.3416 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 0.3905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 0.3905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8090 -0.1973 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8090 -0.1973 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6180 0.3905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6180 0.3905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3090 1.3416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3090 1.3416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6180 0.3905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6180 0.3905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1180 -0.4755 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 5.1180 -0.4755 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 6.1180 -0.4755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.1180 -0.4755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6180 -1.3416 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6180 -1.3416 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8090 -1.1973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8090 -1.1973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.6180 -1.3416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.6180 -1.3416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.6180 0.3905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.6180 0.3905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2 1 2 0 0 0 0 | + | 2 1 2 0 0 0 0 |
| − | 5 4 2 0 0 0 0 | + | 5 4 2 0 0 0 0 |
| − | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
| − | 3 2 1 0 0 0 0 | + | 3 2 1 0 0 0 0 |
| − | 1 5 1 0 0 0 0 | + | 1 5 1 0 0 0 0 |
| − | 3 10 1 0 0 0 0 | + | 3 10 1 0 0 0 0 |
| − | 4 6 1 0 0 0 0 | + | 4 6 1 0 0 0 0 |
| − | 6 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
| − | 7 9 1 1 0 0 0 | + | 7 9 1 1 0 0 0 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
| − | 8 12 2 0 0 0 0 | + | 8 12 2 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMACIZANr002 | + | ID BMACIZANr002 |
| − | NAME | + | NAME (2S) -2-Amino-3- (3-methylimidazol-4-yl) propanoic acid |
| − | FORMULA C7H11N3O2 | + | CAS_RN 368-16-1 |
| − | EXACTMASS 169.0851 | + | FORMULA C7H11N3O2 |
| − | AVERAGEMASS 169.1812 | + | EXACTMASS 169.0851 |
| − | SMILES N[C@@H](Cc(c1)n(C)cn1)C(O)=O | + | AVERAGEMASS 169.1812 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01152 | + | SMILES N[C@@H](Cc(c1)n(C)cn1)C(O)=O |
| + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01152 | ||
M END | M END | ||
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Latest revision as of 17:03, 11 June 2010
Copyright: ARM project http://www.metabolome.jp/
12 12 0 0 1 0 0 0 0 0999 V2000
2.3090 1.3416 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.3905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8090 -0.1973 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6180 0.3905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3090 1.3416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6180 0.3905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1180 -0.4755 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.1180 -0.4755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6180 -1.3416 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8090 -1.1973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6180 -1.3416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6180 0.3905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 1 2 0 0 0 0
5 4 2 0 0 0 0
4 3 1 0 0 0 0
3 2 1 0 0 0 0
1 5 1 0 0 0 0
3 10 1 0 0 0 0
4 6 1 0 0 0 0
6 7 1 0 0 0 0
7 9 1 1 0 0 0
8 11 1 0 0 0 0
8 12 2 0 0 0 0
7 8 1 0 0 0 0
S SKP 7
ID BMACIZANr002
NAME (2S) -2-Amino-3- (3-methylimidazol-4-yl) propanoic acid
CAS_RN 368-16-1
FORMULA C7H11N3O2
EXACTMASS 169.0851
AVERAGEMASS 169.1812
SMILES N[C@@H](Cc(c1)n(C)cn1)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01152
M END
