Mol:BMAXDP--f015
From Metabolomics.JP
(Difference between revisions)
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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 |
| − | 7.1962 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 2.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 6.3301 2.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 1.7500 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 |
| − | 5.4641 3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 0.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 0.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -2.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 3.7321 -2.7500 0.0000 C 0 0 2 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 |
| − | 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 |
| − | 4.5981 -3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -0.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -0.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.0622 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0622 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 4.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 4.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -4.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -4.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6 12 1 0 0 0 0 | + | 6 12 1 0 0 0 0 |
| − | 6 4 1 0 0 0 0 | + | 6 4 1 0 0 0 0 |
| − | 12 10 1 0 0 0 0 | + | 12 10 1 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 |
| − | 2 5 1 6 0 0 0 | + | 2 5 1 6 0 0 0 |
| − | 10 9 1 0 0 0 0 | + | 10 9 1 0 0 0 0 |
| − | 9 8 1 0 0 0 0 | + | 9 8 1 0 0 0 0 |
| − | 8 11 1 6 0 0 0 | + | 8 11 1 6 0 0 0 |
| − | 7 15 1 0 0 0 0 | + | 7 15 1 0 0 0 0 |
| − | 7 16 2 0 0 0 0 | + | 7 16 2 0 0 0 0 |
| − | 8 7 1 0 0 0 0 | + | 8 7 1 0 0 0 0 |
| − | 1 13 1 0 0 0 0 | + | 1 13 1 0 0 0 0 |
| − | 1 14 2 0 0 0 0 | + | 1 14 2 0 0 0 0 |
| − | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMAXDP--f015 | + | ID BMAXDP--f015 |
| − | NAME L-Homocystine | + | NAME L-Homocystine |
| − | FORMULA C8H16N2O4S2 | + | FORMULA C8H16N2O4S2 |
| − | EXACTMASS 268.0551 | + | EXACTMASS 268.0551 |
| − | AVERAGEMASS 268.3557 | + | AVERAGEMASS 268.3557 |
| − | SMILES OC(=O)[C@@H](N)CCSSCC[C@H](N)C(O)=O | + | SMILES OC(=O)[C@@H](N)CCSSCC[C@H](N)C(O)=O |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01817 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01817 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
16 15 0 0 1 0 0 0 0 0999 V2000
7.1962 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.3301 1.7500 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 3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.7500 0.0000 C 0 0 2 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
4.5981 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 4.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6 12 1 0 0 0 0
6 4 1 0 0 0 0
12 10 1 0 0 0 0
4 3 1 0 0 0 0
3 2 1 0 0 0 0
2 5 1 6 0 0 0
10 9 1 0 0 0 0
9 8 1 0 0 0 0
8 11 1 6 0 0 0
7 15 1 0 0 0 0
7 16 2 0 0 0 0
8 7 1 0 0 0 0
1 13 1 0 0 0 0
1 14 2 0 0 0 0
2 1 1 0 0 0 0
S SKP 7
ID BMAXDP--f015
NAME L-Homocystine
FORMULA C8H16N2O4S2
EXACTMASS 268.0551
AVERAGEMASS 268.3557
SMILES OC(=O)[C@@H](N)CCSSCC[C@H](N)C(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01817
M END
