Mol:BMSUM6He--06
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 28 28 0 0 1 0 0 0 0 0999 V2000 | + | 28 28 0 0 1 0 0 0 0 0999 V2000 |
| − | 4.7321 1.9070 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 4.7321 1.9070 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 3.8660 1.4070 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.8660 1.4070 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 3.8660 0.4070 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.8660 0.4070 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 4.7321 -0.0930 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 4.7321 -0.0930 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 5.5981 0.4070 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 5.5981 0.4070 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 5.5981 1.4070 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 5.5981 1.4070 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 4.7321 2.9070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7321 2.9070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8660 3.4070 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8660 3.4070 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3660 2.5410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3660 2.5410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0000 3.9070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0000 3.9070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3660 4.2730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3660 4.2730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0000 1.9070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0000 1.9070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0000 -0.0930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0000 -0.0930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0000 -1.0930 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0000 -1.0930 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -1.0930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -1.0930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0000 -2.0930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0000 -2.0930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0000 -1.0930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0000 -1.0930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7321 -2.2730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7321 -2.2730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7321 -3.2730 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7321 -3.2730 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -3.2730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -3.2730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7321 -4.2730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7321 -4.2730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.7321 -3.2730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.7321 -3.2730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.4641 -0.0930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.4641 -0.0930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.4641 -1.0930 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.4641 -1.0930 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -1.0930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -1.0930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.4641 -2.0930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.4641 -2.0930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.4641 -1.0930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.4641 -1.0930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.4641 1.9070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.4641 1.9070 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 |
| − | 4 3 1 0 0 0 0 | + | 4 3 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 |
| − | 6 28 1 6 0 0 0 | + | 6 28 1 6 0 0 0 |
| − | 1 7 1 1 0 0 0 | + | 1 7 1 1 0 0 0 |
| − | 2 12 1 1 0 0 0 | + | 2 12 1 1 0 0 0 |
| − | 3 13 1 1 0 0 0 | + | 3 13 1 1 0 0 0 |
| − | 4 18 1 6 0 0 0 | + | 4 18 1 6 0 0 0 |
| − | 5 23 1 1 0 0 0 | + | 5 23 1 1 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
| − | 8 10 2 0 0 0 0 | + | 8 10 2 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 21 1 0 0 0 0 | + | 19 21 1 0 0 0 0 |
| − | 19 22 1 0 0 0 0 | + | 19 22 1 0 0 0 0 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
| − | 25 24 1 0 0 0 0 | + | 25 24 1 0 0 0 0 |
| − | 24 26 2 0 0 0 0 | + | 24 26 2 0 0 0 0 |
| − | 24 27 1 0 0 0 0 | + | 24 27 1 0 0 0 0 |
| − | 24 23 1 0 0 0 0 | + | 24 23 1 0 0 0 0 |
| − | 17 14 1 0 0 0 0 | + | 17 14 1 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 14 13 1 0 0 0 0 | + | 14 13 1 0 0 0 0 |
| − | 14 16 2 0 0 0 0 | + | 14 16 2 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMSUM6He--06 | + | ID BMSUM6He--06 |
| − | NAME 1D-myo-Inositol 1,3,4,5-tetrakisphosphate | + | NAME 1D-myo-Inositol 1,3,4,5-tetrakisphosphate |
| − | FORMULA C6H16O18P4 | + | FORMULA C6H16O18P4 |
| − | EXACTMASS 499.9287 | + | EXACTMASS 499.9287 |
| − | AVERAGEMASS 500.0754 | + | AVERAGEMASS 500.0754 |
| − | SMILES O[C@@H]([C@H]1OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@@H]([C@@H](O)1)OP(O)(O)=O | + | SMILES O[C@@H]([C@H]1OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@@H]([C@@H](O)1)OP(O)(O)=O |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01272 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01272 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
28 28 0 0 1 0 0 0 0 0999 V2000
4.7321 1.9070 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.8660 1.4070 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.8660 0.4070 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.7321 -0.0930 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.5981 0.4070 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.5981 1.4070 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.7321 2.9070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 3.4070 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
3.3660 2.5410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 3.9070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3660 4.2730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 1.9070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -0.0930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -1.0930 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.0930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -2.0930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0000 -1.0930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7321 -2.2730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7321 -3.2730 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -3.2730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7321 -4.2730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7321 -3.2730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4641 -0.0930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4641 -1.0930 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.0930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4641 -2.0930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4641 -1.0930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4641 1.9070 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
4 3 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 28 1 6 0 0 0
1 7 1 1 0 0 0
2 12 1 1 0 0 0
3 13 1 1 0 0 0
4 18 1 6 0 0 0
5 23 1 1 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
8 11 1 0 0 0 0
8 10 2 0 0 0 0
18 19 1 0 0 0 0
19 21 1 0 0 0 0
19 22 1 0 0 0 0
19 20 2 0 0 0 0
25 24 1 0 0 0 0
24 26 2 0 0 0 0
24 27 1 0 0 0 0
24 23 1 0 0 0 0
17 14 1 0 0 0 0
14 15 1 0 0 0 0
14 13 1 0 0 0 0
14 16 2 0 0 0 0
S SKP 7
ID BMSUM6He--06
NAME 1D-myo-Inositol 1,3,4,5-tetrakisphosphate
FORMULA C6H16O18P4
EXACTMASS 499.9287
AVERAGEMASS 500.0754
SMILES O[C@@H]([C@H]1OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@@H]([C@@H](O)1)OP(O)(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01272
M END
