Mol:BMSUM6He--14
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 16 0 0 1 0 0 0 0 0999 V2000 | + | 16 16 0 0 1 0 0 0 0 0999 V2000 |
| − | 4.7321 1.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 4.7321 1.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 3.8660 1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.8660 1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 3.8660 -0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.8660 -0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 4.7321 -0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 4.7321 -0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 5.5981 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 5.5981 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 5.5981 1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 5.5981 1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 4.7321 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7321 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0000 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0000 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0000 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0000 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0000 -1.5000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0000 -1.5000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0000 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0000 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0000 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0000 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7321 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7321 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.4641 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.4641 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.4641 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.4641 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 6 1 0 0 0 0 | + | 1 6 1 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 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 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 1 7 1 1 0 0 0 | + | 1 7 1 1 0 0 0 |
| − | 3 9 1 1 0 0 0 | + | 3 9 1 1 0 0 0 |
| − | 5 15 1 1 0 0 0 | + | 5 15 1 1 0 0 0 |
| − | 6 16 1 6 0 0 0 | + | 6 16 1 6 0 0 0 |
| − | 2 8 1 1 0 0 0 | + | 2 8 1 1 0 0 0 |
| − | 4 14 1 6 0 0 0 | + | 4 14 1 6 0 0 0 |
| − | 13 10 1 0 0 0 0 | + | 13 10 1 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 10 12 2 0 0 0 0 | + | 10 12 2 0 0 0 0 |
| − | 10 9 1 0 0 0 0 | + | 10 9 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMSUM6He--14 | + | ID BMSUM6He--14 |
| − | NAME 1D-myo-Inositol 3-phosphate | + | NAME 1D-myo-Inositol 3-phosphate |
| − | FORMULA C6H13O9P | + | FORMULA C6H13O9P |
| − | EXACTMASS 260.0297 | + | EXACTMASS 260.0297 |
| − | AVERAGEMASS 260.1357 | + | AVERAGEMASS 260.1357 |
| − | SMILES O[C@H]([C@@H](O)1)[C@H](O)[C@H]([C@@H](O)[C@@H](O)1)OP(O)(O)=O | + | SMILES O[C@H]([C@@H](O)1)[C@H](O)[C@H]([C@@H](O)[C@@H](O)1)OP(O)(O)=O |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04006 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04006 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
16 16 0 0 1 0 0 0 0 0999 V2000
4.7321 1.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.8660 1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.8660 -0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.7321 -0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.5981 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.5981 1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.7321 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -1.5000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0000 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7321 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4641 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4641 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 6 1 0 0 0 0
1 2 1 0 0 0 0
3 2 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
1 7 1 1 0 0 0
3 9 1 1 0 0 0
5 15 1 1 0 0 0
6 16 1 6 0 0 0
2 8 1 1 0 0 0
4 14 1 6 0 0 0
13 10 1 0 0 0 0
10 11 1 0 0 0 0
10 12 2 0 0 0 0
10 9 1 0 0 0 0
S SKP 7
ID BMSUM6He--14
NAME 1D-myo-Inositol 3-phosphate
FORMULA C6H13O9P
EXACTMASS 260.0297
AVERAGEMASS 260.1357
SMILES O[C@H]([C@@H](O)1)[C@H](O)[C@H]([C@@H](O)[C@@H](O)1)OP(O)(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04006
M END
