Mol:BMAXS3AKq001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 15 14 0 0 1 0 0 0 0 0999 V2000 | + | 15 14 0 0 1 0 0 0 0 0999 V2000 |
| − | 5.4641 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 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 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -1.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.7321 -1.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3660 -0.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3660 -0.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3660 -2.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3660 -2.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 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 |
| − | 6 14 1 6 0 0 0 | + | 6 14 1 6 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 15 1 0 0 0 0 | + | 8 15 1 0 0 0 0 |
| − | 7 9 1 0 0 0 0 | + | 7 9 1 0 0 0 0 |
| − | 7 10 1 0 0 0 0 | + | 7 10 1 0 0 0 0 |
| − | 5 13 2 0 0 0 0 | + | 5 13 2 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 |
| − | 3 2 1 0 0 0 0 | + | 3 2 1 0 0 0 0 |
| − | 1 12 1 0 0 0 0 | + | 1 12 1 0 0 0 0 |
| − | 1 11 2 0 0 0 0 | + | 1 11 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 BMAXS3AKq001 | + | ID BMAXS3AKq001 |
| − | NAME (R)-Pantothenic acid | + | NAME (R)-Pantothenic acid |
| − | FORMULA C9H17NO5 | + | FORMULA C9H17NO5 |
| − | EXACTMASS 219.1106 | + | EXACTMASS 219.1106 |
| − | AVERAGEMASS 219.235 | + | AVERAGEMASS 219.235 |
| − | SMILES OCC(C)(C)[C@@H](O)C(=O)NCCC(O)=O | + | SMILES OCC(C)(C)[C@@H](O)C(=O)NCCC(O)=O |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00864 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00864 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
15 14 0 0 1 0 0 0 0 0999 V2000
5.4641 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 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 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.8660 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3660 -0.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3660 -2.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7 6 1 0 0 0 0
6 5 1 0 0 0 0
6 14 1 6 0 0 0
7 8 1 0 0 0 0
8 15 1 0 0 0 0
7 9 1 0 0 0 0
7 10 1 0 0 0 0
5 13 2 0 0 0 0
5 4 1 0 0 0 0
4 3 1 0 0 0 0
3 2 1 0 0 0 0
1 12 1 0 0 0 0
1 11 2 0 0 0 0
2 1 1 0 0 0 0
S SKP 7
ID BMAXS3AKq001
NAME (R)-Pantothenic acid
FORMULA C9H17NO5
EXACTMASS 219.1106
AVERAGEMASS 219.235
SMILES OCC(C)(C)[C@@H](O)C(=O)NCCC(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00864
M END
