Mol:BMSUM6He--07
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 1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 4.7321 1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 3.8660 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.8660 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 3.8660 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.8660 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 4.7321 -1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 4.7321 -1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 5.5981 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 5.5981 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 5.5981 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 5.5981 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 4.7321 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7321 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5981 2.5000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5981 2.5000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.0981 1.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.0981 1.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.4641 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.4641 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0981 3.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0981 3.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0000 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0000 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0000 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0000 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0000 -2.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0000 -2.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0000 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0000 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0000 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0000 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7321 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7321 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5981 -2.5000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5981 -2.5000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0981 -3.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0981 -3.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.4641 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.4641 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.0981 -1.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.0981 -1.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.4641 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.4641 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.4641 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.4641 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.3301 0.5000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.3301 0.5000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.8301 -0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.8301 -0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.1962 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.1962 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.8301 1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.8301 1.3660 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 |
| − | 6 5 1 0 0 0 0 | + | 6 5 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 |
| − | 3 13 1 1 0 0 0 | + | 3 13 1 1 0 0 0 |
| − | 2 12 1 1 0 0 0 | + | 2 12 1 1 0 0 0 |
| − | 1 7 1 1 0 0 0 | + | 1 7 1 1 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 |
| − | 6 24 1 6 0 0 0 | + | 6 24 1 6 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 17 1 0 0 0 0 | + | 14 17 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 |
| − | 9 8 1 0 0 0 0 | + | 9 8 1 0 0 0 0 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
| − | 8 7 1 0 0 0 0 | + | 8 7 1 0 0 0 0 |
| − | 8 10 2 0 0 0 0 | + | 8 10 2 0 0 0 0 |
| − | 26 25 1 0 0 0 0 | + | 26 25 1 0 0 0 0 |
| − | 25 24 1 0 0 0 0 | + | 25 24 1 0 0 0 0 |
| − | 25 28 1 0 0 0 0 | + | 25 28 1 0 0 0 0 |
| − | 25 27 2 0 0 0 0 | + | 25 27 2 0 0 0 0 |
| − | 22 19 2 0 0 0 0 | + | 22 19 2 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 19 21 1 0 0 0 0 | + | 19 21 1 0 0 0 0 |
| − | 19 18 1 0 0 0 0 | + | 19 18 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMSUM6He--07 | + | ID BMSUM6He--07 |
| − | NAME 1D-myo-Inositol 1,3,4,6-tetrakisphosphate | + | NAME 1D-myo-Inositol 1,3,4,6-tetrakisphosphate |
| − | FORMULA C6H16O18P4 | + | FORMULA C6H16O18P4 |
| − | EXACTMASS 499.9287 | + | EXACTMASS 499.9287 |
| − | AVERAGEMASS 500.0754 | + | AVERAGEMASS 500.0754 |
| − | SMILES O[C@@H]([C@@H](OP(O)(O)=O)1)[C@H](OP(O)(O)=O)[C@H]([C@H](O)[C@@H](OP(O)(O)=O)1)OP(O)(O)=O | + | SMILES O[C@@H]([C@@H](OP(O)(O)=O)1)[C@H](OP(O)(O)=O)[C@H]([C@H](O)[C@@H](OP(O)(O)=O)1)OP(O)(O)=O |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04477 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04477 |
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 1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.8660 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.8660 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.7321 -1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.5981 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.5981 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.7321 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5981 2.5000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
6.0981 1.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4641 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0981 3.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -2.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0000 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7321 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5981 -2.5000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
5.0981 -3.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4641 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0981 -1.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4641 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4641 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3301 0.5000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
6.8301 -0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1962 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.8301 1.3660 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
6 5 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
3 13 1 1 0 0 0
2 12 1 1 0 0 0
1 7 1 1 0 0 0
5 23 1 1 0 0 0
4 18 1 6 0 0 0
6 24 1 6 0 0 0
13 14 1 0 0 0 0
14 17 1 0 0 0 0
14 15 1 0 0 0 0
14 16 2 0 0 0 0
9 8 1 0 0 0 0
8 11 1 0 0 0 0
8 7 1 0 0 0 0
8 10 2 0 0 0 0
26 25 1 0 0 0 0
25 24 1 0 0 0 0
25 28 1 0 0 0 0
25 27 2 0 0 0 0
22 19 2 0 0 0 0
19 20 1 0 0 0 0
19 21 1 0 0 0 0
19 18 1 0 0 0 0
S SKP 7
ID BMSUM6He--07
NAME 1D-myo-Inositol 1,3,4,6-tetrakisphosphate
FORMULA C6H16O18P4
EXACTMASS 499.9287
AVERAGEMASS 500.0754
SMILES O[C@@H]([C@@H](OP(O)(O)=O)1)[C@H](OP(O)(O)=O)[C@H]([C@H](O)[C@@H](OP(O)(O)=O)1)OP(O)(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04477
M END
