Mol:BMSUM6He--03
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 32 0 0 1 0 0 0 0 0999 V2000 | + | 32 32 0 0 1 0 0 0 0 0999 V2000 |
| − | 5.4641 1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 5.4641 1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 4.5981 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 4.5981 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 5.4641 -1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 6.3301 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 6.3301 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 2.5000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 2.5000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.8301 1.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.8301 1.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.8301 3.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.8301 3.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 0.5000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 0.5000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3660 -0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3660 -0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3660 1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3660 1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 -2.5000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 -2.5000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.8301 -3.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.8301 -3.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.8301 -1.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.8301 -1.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.0622 -0.5000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0622 -0.5000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.5622 -1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.5622 -1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.9282 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.9282 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.5622 0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.5622 0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.2181 1.5900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.2181 1.5900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.0841 2.0900 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.0841 2.0900 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.5841 1.2240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.5841 1.2240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.9501 2.5900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.9501 2.5900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.5841 2.9560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.5841 2.9560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 29 28 1 0 0 0 0 | + | 29 28 1 0 0 0 0 |
| − | 29 31 1 0 0 0 0 | + | 29 31 1 0 0 0 0 |
| − | 29 32 1 0 0 0 0 | + | 29 32 1 0 0 0 0 |
| − | 29 30 2 0 0 0 0 | + | 29 30 2 0 0 0 0 |
| − | 6 28 1 6 0 0 0 | + | 6 28 1 6 0 0 0 |
| − | 1 6 1 0 0 0 0 | + | 1 6 1 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 1 7 1 1 0 0 0 | + | 1 7 1 1 0 0 0 |
| − | 5 4 1 0 0 0 0 | + | 5 4 1 0 0 0 0 |
| − | 5 23 1 1 0 0 0 | + | 5 23 1 1 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 2 12 1 1 0 0 0 | + | 2 12 1 1 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 4 18 1 6 0 0 0 | + | 4 18 1 6 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 3 17 1 1 0 0 0 | + | 3 17 1 1 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 8 10 1 0 0 0 0 | + | 8 10 1 0 0 0 0 |
| − | 8 11 2 0 0 0 0 | + | 8 11 2 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 24 27 1 0 0 0 0 | + | 24 27 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 24 26 2 0 0 0 0 | + | 24 26 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 13 16 1 0 0 0 0 | + | 13 16 1 0 0 0 0 |
| − | 13 15 2 0 0 0 0 | + | 13 15 2 0 0 0 0 |
| − | 19 22 1 0 0 0 0 | + | 19 22 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 19 21 2 0 0 0 0 | + | 19 21 2 0 0 0 0 |
| − | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMSUM6He--03 | + | ID BMSUM6He--03 |
| − | NAME 1D-myo-Inositol 1,2,4,5,6-pentakisphosphate | + | NAME 1D-myo-Inositol 1,2,4,5,6-pentakisphosphate |
| − | FORMULA C6H17O21P5 | + | FORMULA C6H17O21P5 |
| − | EXACTMASS 579.895 | + | EXACTMASS 579.895 |
| − | AVERAGEMASS 580.0553 | + | AVERAGEMASS 580.0553 |
| − | SMILES O[C@@H]([C@@H](OP(O)(O)=O)1)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)1 | + | SMILES O[C@@H]([C@@H](OP(O)(O)=O)1)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)1 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04563 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04563 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 32 0 0 1 0 0 0 0 0999 V2000
5.4641 1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.5981 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5981 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.4641 -1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.3301 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.3301 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.4641 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.5000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
6.8301 1.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8301 3.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.5000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
3.3660 -0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3660 1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -2.5000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
5.8301 -3.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8301 -1.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -0.5000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
8.5622 -1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.5622 0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.2181 1.5900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.0841 2.0900 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
9.5841 1.2240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.9501 2.5900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.5841 2.9560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
29 28 1 0 0 0 0
29 31 1 0 0 0 0
29 32 1 0 0 0 0
29 30 2 0 0 0 0
6 28 1 6 0 0 0
1 6 1 0 0 0 0
5 6 1 0 0 0 0
1 2 1 0 0 0 0
1 7 1 1 0 0 0
5 4 1 0 0 0 0
5 23 1 1 0 0 0
2 3 1 0 0 0 0
2 12 1 1 0 0 0
7 8 1 0 0 0 0
4 18 1 6 0 0 0
23 24 1 0 0 0 0
3 17 1 1 0 0 0
12 13 1 0 0 0 0
8 9 1 0 0 0 0
8 10 1 0 0 0 0
8 11 2 0 0 0 0
18 19 1 0 0 0 0
24 27 1 0 0 0 0
24 25 1 0 0 0 0
24 26 2 0 0 0 0
13 14 1 0 0 0 0
13 16 1 0 0 0 0
13 15 2 0 0 0 0
19 22 1 0 0 0 0
19 20 1 0 0 0 0
19 21 2 0 0 0 0
4 3 1 0 0 0 0
S SKP 7
ID BMSUM6He--03
NAME 1D-myo-Inositol 1,2,4,5,6-pentakisphosphate
FORMULA C6H17O21P5
EXACTMASS 579.895
AVERAGEMASS 580.0553
SMILES O[C@@H]([C@@H](OP(O)(O)=O)1)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04563
M END
