Mol:BMAXS3SFt004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 14 14 0 0 1 0 0 0 0 0999 V2000 | + | 14 14 0 0 1 0 0 0 0 0999 V2000 |
| − | 2.8660 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 2.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 3.7321 2.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 0.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 0.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -3.5000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -3.5000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 3.5000 0.0000 O 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 13 2 0 0 0 0 | + | 1 13 2 0 0 0 0 |
| − | 3 5 1 0 0 0 0 | + | 3 5 1 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 1 14 1 0 0 0 0 | + | 1 14 1 0 0 0 0 |
| − | 8 7 2 0 0 0 0 | + | 8 7 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 6 2 0 0 0 0 | + | 11 6 2 0 0 0 0 |
| − | 6 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
| − | 6 5 1 0 0 0 0 | + | 6 5 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMAXS3SFt004 | + | ID BMAXS3SFt004 |
| − | NAME S-(4-Bromo-phenyl)-L-cysteine | + | NAME S-(4-Bromo-phenyl)-L-cysteine |
| − | FORMULA C9H10BrNO2S | + | FORMULA C9H10BrNO2S |
| − | EXACTMASS 274.9615 | + | EXACTMASS 274.9615 |
| − | AVERAGEMASS 276.1512 | + | AVERAGEMASS 276.1512 |
| − | SMILES OC(=O)[C@@H](N)CSc(c1)ccc(Br)c1 | + | SMILES OC(=O)[C@@H](N)CSc(c1)ccc(Br)c1 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03900 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03900 |
M END | M END | ||
| − | |||
Revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
14 14 0 0 1 0 0 0 0 0999 V2000
2.8660 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 2.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.7321 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -3.5000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 3.5000 0.0000 O 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 13 2 0 0 0 0
3 5 1 0 0 0 0
2 3 1 0 0 0 0
1 14 1 0 0 0 0
8 7 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 6 2 0 0 0 0
6 7 1 0 0 0 0
9 12 1 0 0 0 0
6 5 1 0 0 0 0
S SKP 7
ID BMAXS3SFt004
NAME S-(4-Bromo-phenyl)-L-cysteine
FORMULA C9H10BrNO2S
EXACTMASS 274.9615
AVERAGEMASS 276.1512
SMILES OC(=O)[C@@H](N)CSc(c1)ccc(Br)c1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03900
M END
