Mol:BMSUM6He--01
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 36 36 0 0 1 0 0 0 0 0999 V2000 | + | 36 36 0 0 1 0 0 0 0 0999 V2000 |
− | 6.6162 1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 6.6162 1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
− | 5.7502 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 5.7502 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 5.7502 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 5.7502 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 6.6162 -1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 6.6162 -1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
− | 7.4822 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 7.4822 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 7.4822 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 7.4822 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 6.6162 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.6162 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.7502 2.5000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.7502 2.5000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.2502 1.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.2502 1.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.2502 3.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.2502 3.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.8841 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8841 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.8841 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8841 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.0181 0.5000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0181 0.5000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.5181 -0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5181 -0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1521 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1521 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.5181 1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5181 1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.8622 -1.5900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8622 -1.5900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.9962 -1.0900 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9962 -1.0900 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4962 -1.9560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4962 -1.9560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0000 -1.1772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -1.1772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1302 -0.5900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1302 -0.5900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.6162 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.6162 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.7502 -2.5000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.7502 -2.5000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.2502 -3.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.2502 -3.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.8841 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8841 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.2502 -1.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.2502 -1.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 8.3482 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.3482 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 8.3482 -2.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.3482 -2.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 9.3482 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.3482 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 8.3482 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.3482 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 7.3482 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.3482 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 8.3482 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.3482 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 8.3482 2.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.3482 2.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 9.3482 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.3482 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 8.3482 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.3482 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 7.3482 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.3482 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5 4 1 0 0 0 0 | + | 5 4 1 0 0 0 0 |
− | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
− | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
− | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
− | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
− | 6 5 1 0 0 0 0 | + | 6 5 1 0 0 0 0 |
− | 4 22 1 6 0 0 0 | + | 4 22 1 6 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 |
− | 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 |
− | 28 31 1 0 0 0 0 | + | 28 31 1 0 0 0 0 |
− | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
− | 28 30 2 0 0 0 0 | + | 28 30 2 0 0 0 0 |
− | 28 27 1 0 0 0 0 | + | 28 27 1 0 0 0 0 |
− | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
− | 33 36 1 0 0 0 0 | + | 33 36 1 0 0 0 0 |
− | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
− | 33 35 2 0 0 0 0 | + | 33 35 2 0 0 0 0 |
− | 20 18 1 0 0 0 0 | + | 20 18 1 0 0 0 0 |
− | 18 21 1 0 0 0 0 | + | 18 21 1 0 0 0 0 |
− | 18 17 1 0 0 0 0 | + | 18 17 1 0 0 0 0 |
− | 18 19 2 0 0 0 0 | + | 18 19 2 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 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 |
− | 15 13 1 0 0 0 0 | + | 15 13 1 0 0 0 0 |
− | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
− | 13 12 1 0 0 0 0 | + | 13 12 1 0 0 0 0 |
− | 13 16 2 0 0 0 0 | + | 13 16 2 0 0 0 0 |
− | 5 27 1 1 0 0 0 | + | 5 27 1 1 0 0 0 |
− | 26 23 1 0 0 0 0 | + | 26 23 1 0 0 0 0 |
− | 23 22 1 0 0 0 0 | + | 23 22 1 0 0 0 0 |
− | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
− | 23 25 2 0 0 0 0 | + | 23 25 2 0 0 0 0 |
− | S SKP 7 | + | S SKP 7 |
− | ID BMSUM6He--01 | + | ID BMSUM6He--01 |
− | NAME 1D-myo-Inositol 1,2,3,4,5,6-hexakisphosphate | + | NAME 1D-myo-Inositol 1,2,3,4,5,6-hexakisphosphate |
− | FORMULA C6H18O24P6 | + | FORMULA C6H18O24P6 |
− | EXACTMASS 659.8613 | + | EXACTMASS 659.8613 |
− | AVERAGEMASS 660.0352 | + | AVERAGEMASS 660.0352 |
− | SMILES OP(O)(=O)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 OP(O)(=O)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+C01204 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01204 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 36 36 0 0 1 0 0 0 0 0999 V2000 6.6162 1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7502 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7502 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6162 -1.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4822 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4822 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6162 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7502 2.5000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 5.2502 1.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2502 3.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8841 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8841 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0181 0.5000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.5181 -0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1521 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5181 1.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8622 -1.5900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9962 -1.0900 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.4962 -1.9560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1302 -0.5900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6162 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7502 -2.5000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 6.2502 -3.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8841 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2502 -1.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3482 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3482 -2.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 9.3482 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3482 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3482 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3482 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3482 2.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 9.3482 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3482 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3482 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5 4 1 0 0 0 0 3 4 1 0 0 0 0 2 3 1 0 0 0 0 1 2 1 0 0 0 0 6 1 1 0 0 0 0 6 5 1 0 0 0 0 4 22 1 6 0 0 0 6 32 1 6 0 0 0 3 17 1 1 0 0 0 2 12 1 1 0 0 0 1 7 1 1 0 0 0 28 31 1 0 0 0 0 28 29 1 0 0 0 0 28 30 2 0 0 0 0 28 27 1 0 0 0 0 32 33 1 0 0 0 0 33 36 1 0 0 0 0 33 34 1 0 0 0 0 33 35 2 0 0 0 0 20 18 1 0 0 0 0 18 21 1 0 0 0 0 18 17 1 0 0 0 0 18 19 2 0 0 0 0 7 8 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 15 13 1 0 0 0 0 13 14 1 0 0 0 0 13 12 1 0 0 0 0 13 16 2 0 0 0 0 5 27 1 1 0 0 0 26 23 1 0 0 0 0 23 22 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 S SKP 7 ID BMSUM6He--01 NAME 1D-myo-Inositol 1,2,3,4,5,6-hexakisphosphate FORMULA C6H18O24P6 EXACTMASS 659.8613 AVERAGEMASS 660.0352 SMILES OP(O)(=O)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+C01204 M END