Mol:BMCCPTPTf017
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 |
| − | 2.8660 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -2.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.8660 -2.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.7321 -2.0000 0.0000 C 0 0 1 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 |
| − | 2.0000 -4.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -4.0000 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 S 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 |
| − | 5.4641 2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 5.4641 2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 2.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 6.3301 2.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 3.5000 0.0000 C 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 |
| − | 7.1962 4.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 4.0000 0.0000 S 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 |
| − | 4.5981 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9 16 1 1 0 0 0 | + | 9 16 1 1 0 0 0 |
| − | 9 8 1 0 0 0 0 | + | 9 8 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 8 7 1 0 0 0 0 | + | 8 7 1 0 0 0 0 |
| − | 8 15 1 6 0 0 0 | + | 8 15 1 6 0 0 0 |
| − | 10 12 1 0 0 0 0 | + | 10 12 1 0 0 0 0 |
| − | 7 11 1 0 0 0 0 | + | 7 11 1 0 0 0 0 |
| − | 3 14 1 1 0 0 0 | + | 3 14 1 1 0 0 0 |
| − | 3 2 1 0 0 0 0 | + | 3 2 1 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
| − | 2 13 1 6 0 0 0 | + | 2 13 1 6 0 0 0 |
| − | 4 6 1 0 0 0 0 | + | 4 6 1 0 0 0 0 |
| − | 1 5 1 0 0 0 0 | + | 1 5 1 0 0 0 0 |
| − | 11 6 1 0 0 0 0 | + | 11 6 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMCCPTPTf017 | + | ID BMCCPTPTf017 |
| − | NAME Dithioerythritol disulfide | + | NAME Dithioerythritol disulfide |
| − | FORMULA C8H18O4S4 | + | FORMULA C8H18O4S4 |
| − | EXACTMASS 306.0087 | + | EXACTMASS 306.0087 |
| − | AVERAGEMASS 306.4901 | + | AVERAGEMASS 306.4901 |
| − | SMILES SC[C@@H](O)[C@@H](O)CSSC[C@@H](O)[C@@H](O)CS | + | SMILES SC[C@@H](O)[C@@H](O)CSSC[C@@H](O)[C@@H](O)CS |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03698 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03698 |
M END | M END | ||
| − | |||
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
2.8660 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.7321 -2.0000 0.0000 C 0 0 1 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
2.0000 -4.0000 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
5.4641 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.3301 2.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.3301 3.5000 0.0000 C 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
7.1962 4.0000 0.0000 S 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
4.5981 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9 16 1 1 0 0 0
9 8 1 0 0 0 0
9 10 1 0 0 0 0
8 7 1 0 0 0 0
8 15 1 6 0 0 0
10 12 1 0 0 0 0
7 11 1 0 0 0 0
3 14 1 1 0 0 0
3 2 1 0 0 0 0
3 4 1 0 0 0 0
2 1 1 0 0 0 0
2 13 1 6 0 0 0
4 6 1 0 0 0 0
1 5 1 0 0 0 0
11 6 1 0 0 0 0
S SKP 7
ID BMCCPTPTf017
NAME Dithioerythritol disulfide
FORMULA C8H18O4S4
EXACTMASS 306.0087
AVERAGEMASS 306.4901
SMILES SC[C@@H](O)[C@@H](O)CSSC[C@@H](O)[C@@H](O)CS
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03698
M END
