Mol:BMMCIZ--k003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 11 11 0 0 1 0 0 0 0 0999 V2000 | + | 11 11 0 0 1 0 0 0 0 0999 V2000 |
| − | 2.9945 1.0694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9945 1.0694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5823 0.2604 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.5823 0.2604 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 4.5768 0.3649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5768 0.3649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8556 -1.3952 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8556 -1.3952 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.6646 -1.9829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.6646 -1.9829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.4736 -1.3952 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.4736 -1.3952 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.1646 -0.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.1646 -0.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1646 -0.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1646 -0.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1756 -0.6532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1756 -0.6532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 0.9649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 0.9649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4013 1.9829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4013 1.9829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3 2 1 0 0 0 0 | + | 3 2 1 0 0 0 0 |
| − | 1 11 1 0 0 0 0 | + | 1 11 1 0 0 0 0 |
| − | 1 10 2 0 0 0 0 | + | 1 10 2 0 0 0 0 |
| − | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
| − | 2 9 1 1 0 0 0 | + | 2 9 1 1 0 0 0 |
| − | 8 7 2 0 0 0 0 | + | 8 7 2 0 0 0 0 |
| − | 6 5 2 0 0 0 0 | + | 6 5 2 0 0 0 0 |
| − | 5 4 1 0 0 0 0 | + | 5 4 1 0 0 0 0 |
| − | 4 8 1 0 0 0 0 | + | 4 8 1 0 0 0 0 |
| − | 7 6 1 0 0 0 0 | + | 7 6 1 0 0 0 0 |
| − | 8 3 1 0 0 0 0 | + | 8 3 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMMCIZ--k003 | + | ID BMMCIZ--k003 |
| − | NAME (S)-3-(Imidazole-5-yl)-lactic acid | + | NAME (S)-3-(Imidazole-5-yl)-lactic acid |
| − | FORMULA C6H8N2O3 | + | FORMULA C6H8N2O3 |
| − | EXACTMASS 156.0534 | + | EXACTMASS 156.0534 |
| − | AVERAGEMASS 156.1394 | + | AVERAGEMASS 156.1394 |
| − | SMILES OC(=O)[C@H](O)Cc(c1)ncn1 | + | SMILES OC(=O)[C@H](O)Cc(c1)ncn1 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03817 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03817 |
M END | M END | ||
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Revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
11 11 0 0 1 0 0 0 0 0999 V2000
2.9945 1.0694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5823 0.2604 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5768 0.3649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8556 -1.3952 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.6646 -1.9829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4736 -1.3952 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.1646 -0.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1646 -0.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1756 -0.6532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.9649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4013 1.9829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3 2 1 0 0 0 0
1 11 1 0 0 0 0
1 10 2 0 0 0 0
2 1 1 0 0 0 0
2 9 1 1 0 0 0
8 7 2 0 0 0 0
6 5 2 0 0 0 0
5 4 1 0 0 0 0
4 8 1 0 0 0 0
7 6 1 0 0 0 0
8 3 1 0 0 0 0
S SKP 7
ID BMMCIZ--k003
NAME (S)-3-(Imidazole-5-yl)-lactic acid
FORMULA C6H8N2O3
EXACTMASS 156.0534
AVERAGEMASS 156.1394
SMILES OC(=O)[C@H](O)Cc(c1)ncn1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03817
M END
