Mol:BMSUM6He--05
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 |
| − | 4.7321 1.3170 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 4.7321 1.3170 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 3.8660 0.8170 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.8660 0.8170 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 3.8660 -0.1830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.8660 -0.1830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 4.7321 -0.6830 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 4.7321 -0.6830 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 5.5981 -0.1830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 5.5981 -0.1830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 5.5981 0.8170 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 5.5981 0.8170 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 4.7321 2.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7321 2.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5981 2.8170 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5981 2.8170 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.0981 1.9510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.0981 1.9510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.4641 3.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.4641 3.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0981 3.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0981 3.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0000 1.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0000 1.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0000 -0.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0000 -0.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0000 -1.6830 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0000 -1.6830 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -1.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -1.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0000 -2.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0000 -2.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0000 -1.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0000 -1.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7321 -1.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7321 -1.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7321 -2.6830 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7321 -2.6830 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -2.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -2.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7321 -3.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7321 -3.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.7321 -2.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.7321 -2.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.4860 -1.2730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.4860 -1.2730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.4860 -2.2730 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.4860 -2.2730 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.4860 -2.2730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.4860 -2.2730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.4860 -3.2730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.4860 -3.2730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.4860 -2.2730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.4860 -2.2730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.4641 1.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.4641 1.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.3301 0.8170 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.3301 0.8170 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.8301 -0.0490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.8301 -0.0490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.1962 0.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.1962 0.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.8301 1.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.8301 1.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 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 |
| − | 4 5 1 0 0 0 0 | + | 4 5 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 |
| − | 2 12 1 1 0 0 0 | + | 2 12 1 1 0 0 0 |
| − | 6 28 1 6 0 0 0 | + | 6 28 1 6 0 0 0 |
| − | 5 23 1 1 0 0 0 | + | 5 23 1 1 0 0 0 |
| − | 4 18 1 6 0 0 0 | + | 4 18 1 6 0 0 0 |
| − | 3 13 1 1 0 0 0 | + | 3 13 1 1 0 0 0 |
| − | 1 7 1 1 0 0 0 | + | 1 7 1 1 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 16 2 0 0 0 0 | + | 14 16 2 0 0 0 0 |
| − | 14 13 1 0 0 0 0 | + | 14 13 1 0 0 0 0 |
| − | 19 18 1 0 0 0 0 | + | 19 18 1 0 0 0 0 |
| − | 19 22 2 0 0 0 0 | + | 19 22 2 0 0 0 0 |
| − | 19 21 1 0 0 0 0 | + | 19 21 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 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 2 0 0 0 0 | + | 8 11 2 0 0 0 0 |
| − | 8 10 1 0 0 0 0 | + | 8 10 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 29 32 2 0 0 0 0 | + | 29 32 2 0 0 0 0 |
| − | 29 31 1 0 0 0 0 | + | 29 31 1 0 0 0 0 |
| − | 26 24 1 0 0 0 0 | + | 26 24 1 0 0 0 0 |
| − | 24 23 1 0 0 0 0 | + | 24 23 1 0 0 0 0 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
| − | 24 27 1 0 0 0 0 | + | 24 27 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMSUM6He--05 | + | ID BMSUM6He--05 |
| − | NAME 1D-myo-Inositol 1,3,4,5,6-pentakisphosphate | + | NAME 1D-myo-Inositol 1,3,4,5,6-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+C01284 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01284 |
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
4.7321 1.3170 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.8660 0.8170 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.8660 -0.1830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.7321 -0.6830 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.5981 -0.1830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.5981 0.8170 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.7321 2.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5981 2.8170 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
6.0981 1.9510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4641 3.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0981 3.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 1.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -0.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -1.6830 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -2.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0000 -1.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7321 -1.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7321 -2.6830 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7321 -3.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7321 -2.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4860 -1.2730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4860 -2.2730 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
6.4860 -2.2730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4860 -3.2730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.4860 -2.2730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4641 1.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3301 0.8170 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
6.8301 -0.0490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1962 0.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.8301 1.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 6 1 0 0 0 0
5 6 1 0 0 0 0
4 5 1 0 0 0 0
4 3 1 0 0 0 0
3 2 1 0 0 0 0
2 12 1 1 0 0 0
6 28 1 6 0 0 0
5 23 1 1 0 0 0
4 18 1 6 0 0 0
3 13 1 1 0 0 0
1 7 1 1 0 0 0
17 14 1 0 0 0 0
14 15 1 0 0 0 0
14 16 2 0 0 0 0
14 13 1 0 0 0 0
19 18 1 0 0 0 0
19 22 2 0 0 0 0
19 21 1 0 0 0 0
19 20 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
8 11 2 0 0 0 0
8 10 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
29 32 2 0 0 0 0
29 31 1 0 0 0 0
26 24 1 0 0 0 0
24 23 1 0 0 0 0
24 25 2 0 0 0 0
24 27 1 0 0 0 0
S SKP 7
ID BMSUM6He--05
NAME 1D-myo-Inositol 1,3,4,5,6-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+C01284
M END
