Mol:BMSUM6He--02
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 |
| − | 6.4859 1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 6.4859 1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 5.6198 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 5.6198 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 5.6198 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 5.6198 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 6.4859 -1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 6.4859 -1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 7.3519 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 7.3519 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 7.3519 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 7.3519 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 6.4859 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.4859 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.6198 2.5000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.6198 2.5000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1198 1.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1198 1.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.1198 3.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.1198 3.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7538 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7538 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7538 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7538 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8878 0.5000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8878 0.5000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3878 -0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3878 -0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0218 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0218 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3878 1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3878 1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7319 -1.5900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7319 -1.5900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -2.0900 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -2.0900 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3660 -1.2240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3660 -1.2240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -2.5900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -2.5900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3659 -2.9560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3659 -2.9560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.4859 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.4859 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.6198 -2.5000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.6198 -2.5000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1198 -1.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1198 -1.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7538 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7538 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.1198 -3.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.1198 -3.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.2179 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.2179 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.2179 -2.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.2179 -2.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.2179 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.2179 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.2179 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.2179 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.2179 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.2179 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.2179 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.2179 1.0000 0.0000 O 0 0 0 0 0 0 0 0 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 6 1 0 0 0 0 | + | 1 6 1 0 0 0 0 |
| − | 2 1 1 0 0 0 0 | + | 2 1 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 |
| − | 5 27 1 1 0 0 0 | + | 5 27 1 1 0 0 0 |
| − | 6 32 1 6 0 0 0 | + | 6 32 1 6 0 0 0 |
| − | 3 17 1 1 0 0 0 | + | 3 17 1 1 0 0 0 |
| − | 4 22 1 6 0 0 0 | + | 4 22 1 6 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 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 20 1 0 0 0 0 | + | 18 20 1 0 0 0 0 |
| − | 18 21 1 0 0 0 0 | + | 18 21 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 9 8 1 0 0 0 0 | + | 9 8 1 0 0 0 0 |
| − | 8 10 2 0 0 0 0 | + | 8 10 2 0 0 0 0 |
| − | 8 7 1 0 0 0 0 | + | 8 7 1 0 0 0 0 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
| − | 14 13 2 0 0 0 0 | + | 14 13 2 0 0 0 0 |
| − | 13 16 1 0 0 0 0 | + | 13 16 1 0 0 0 0 |
| − | 13 12 1 0 0 0 0 | + | 13 12 1 0 0 0 0 |
| − | 13 15 1 0 0 0 0 | + | 13 15 1 0 0 0 0 |
| − | 24 23 1 0 0 0 0 | + | 24 23 1 0 0 0 0 |
| − | 23 25 2 0 0 0 0 | + | 23 25 2 0 0 0 0 |
| − | 23 26 1 0 0 0 0 | + | 23 26 1 0 0 0 0 |
| − | 23 22 1 0 0 0 0 | + | 23 22 1 0 0 0 0 |
| − | 28 27 1 0 0 0 0 | + | 28 27 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 28 31 1 0 0 0 0 | + | 28 31 1 0 0 0 0 |
| − | 28 30 2 0 0 0 0 | + | 28 30 2 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMSUM6He--02 | + | ID BMSUM6He--02 |
| − | NAME 1D-myo-Inositol 1,2,3,4,5-pentakisphosphate | + | NAME 1D-myo-Inositol 1,2,3,4,5-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+C04579 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04579 |
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
6.4859 1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.6198 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.6198 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.4859 -1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.3519 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.3519 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.4859 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6198 2.5000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
5.1198 1.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1198 3.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7538 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7538 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8878 0.5000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
4.3878 -0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0218 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3878 1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7319 -1.5900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.0900 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
2.3660 -1.2240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.5900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3659 -2.9560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4859 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6198 -2.5000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
5.1198 -1.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7538 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1198 -3.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.2179 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.2179 -2.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
7.2179 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.2179 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.2179 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.2179 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
1 6 1 0 0 0 0
2 1 1 0 0 0 0
3 2 1 0 0 0 0
3 4 1 0 0 0 0
5 27 1 1 0 0 0
6 32 1 6 0 0 0
3 17 1 1 0 0 0
4 22 1 6 0 0 0
2 12 1 1 0 0 0
1 7 1 1 0 0 0
17 18 1 0 0 0 0
18 20 1 0 0 0 0
18 21 1 0 0 0 0
18 19 2 0 0 0 0
9 8 1 0 0 0 0
8 10 2 0 0 0 0
8 7 1 0 0 0 0
8 11 1 0 0 0 0
14 13 2 0 0 0 0
13 16 1 0 0 0 0
13 12 1 0 0 0 0
13 15 1 0 0 0 0
24 23 1 0 0 0 0
23 25 2 0 0 0 0
23 26 1 0 0 0 0
23 22 1 0 0 0 0
28 27 1 0 0 0 0
28 29 1 0 0 0 0
28 31 1 0 0 0 0
28 30 2 0 0 0 0
S SKP 7
ID BMSUM6He--02
NAME 1D-myo-Inositol 1,2,3,4,5-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+C04579
M END
