Mol:BMAXS3AKf007
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 18 17 0 0 1 0 0 0 0 0999 V2000 | + | 18 17 0 0 1 0 0 0 0 0999 V2000 |
| − | 7.1962 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -2.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 3.7321 -2.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3660 -2.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3660 -2.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3660 -3.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3660 -3.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 4.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 4.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10 9 1 0 0 0 0 | + | 10 9 1 0 0 0 0 |
| − | 10 12 1 0 0 0 0 | + | 10 12 1 0 0 0 0 |
| − | 10 13 1 0 0 0 0 | + | 10 13 1 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 18 1 0 0 0 0 | + | 11 18 1 0 0 0 0 |
| − | 9 17 1 4 0 0 0 | + | 9 17 1 4 0 0 0 |
| − | 9 8 1 0 0 0 0 | + | 9 8 1 0 0 0 0 |
| − | 8 16 2 0 0 0 0 | + | 8 16 2 0 0 0 0 |
| − | 8 7 1 0 0 0 0 | + | 8 7 1 0 0 0 0 |
| − | 7 6 1 0 0 0 0 | + | 7 6 1 0 0 0 0 |
| − | 6 5 1 0 0 0 0 | + | 6 5 1 0 0 0 0 |
| − | 5 4 1 0 0 0 0 | + | 5 4 1 0 0 0 0 |
| − | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
| − | 4 15 2 0 0 0 0 | + | 4 15 2 0 0 0 0 |
| − | 3 2 1 0 0 0 0 | + | 3 2 1 0 0 0 0 |
| − | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
| − | 1 14 1 0 0 0 0 | + | 1 14 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMAXS3AKf007 | + | ID BMAXS3AKf007 |
| − | NAME Pantetheine | + | NAME Pantetheine |
| − | FORMULA C11H22N2O4S | + | FORMULA C11H22N2O4S |
| − | EXACTMASS 278.13 | + | EXACTMASS 278.13 |
| − | AVERAGEMASS 278.3694 | + | AVERAGEMASS 278.3694 |
| − | SMILES SCCNC(=O)CCNC(=O)C(O)C(C)(C)CO | + | SMILES SCCNC(=O)CCNC(=O)C(O)C(C)(C)CO |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00831 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00831 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
18 17 0 0 1 0 0 0 0 0999 V2000
7.1962 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
2.8660 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3660 -2.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3660 -3.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 4.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10 9 1 0 0 0 0
10 12 1 0 0 0 0
10 13 1 0 0 0 0
10 11 1 0 0 0 0
11 18 1 0 0 0 0
9 17 1 4 0 0 0
9 8 1 0 0 0 0
8 16 2 0 0 0 0
8 7 1 0 0 0 0
7 6 1 0 0 0 0
6 5 1 0 0 0 0
5 4 1 0 0 0 0
4 3 1 0 0 0 0
4 15 2 0 0 0 0
3 2 1 0 0 0 0
2 1 1 0 0 0 0
1 14 1 0 0 0 0
S SKP 7
ID BMAXS3AKf007
NAME Pantetheine
FORMULA C11H22N2O4S
EXACTMASS 278.13
AVERAGEMASS 278.3694
SMILES SCCNC(=O)CCNC(=O)C(O)C(C)(C)CO
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00831
M END
