Mol:BMSUM6He--15
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 20 20 0 0 1 0 0 0 0 0999 V2000 | + | 20 20 0 0 1 0 0 0 0 0999 V2000 |
| − | 3.7321 1.6830 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 3.7321 1.6830 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 1.1830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.8660 1.1830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 0.1830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.8660 0.1830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -0.3170 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 3.7321 -0.3170 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 0.1830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 4.5981 0.1830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 1.1830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 4.5981 1.1830 0.0000 C 0 0 1 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 |
| − | 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 |
| − | 2.0000 -0.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -0.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -1.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -1.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -1.8170 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -1.8170 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3660 -0.9510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3660 -0.9510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -2.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -2.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3660 -2.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3660 -2.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -0.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -0.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 0.1830 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 0.1830 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.8301 -0.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.8301 -0.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 0.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 0.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.8301 1.0490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.8301 1.0490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 1.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 1.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 6 1 0 0 0 0 | + | 1 6 1 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 4 3 1 0 0 0 0 | + | 4 3 1 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 7 1 1 0 0 0 | + | 1 7 1 1 0 0 0 |
| − | 3 9 1 1 0 0 0 | + | 3 9 1 1 0 0 0 |
| − | 5 15 1 1 0 0 0 | + | 5 15 1 1 0 0 0 |
| − | 6 20 1 6 0 0 0 | + | 6 20 1 6 0 0 0 |
| − | 2 8 1 1 0 0 0 | + | 2 8 1 1 0 0 0 |
| − | 4 10 1 6 0 0 0 | + | 4 10 1 6 0 0 0 |
| − | 12 11 1 0 0 0 0 | + | 12 11 1 0 0 0 0 |
| − | 11 10 1 0 0 0 0 | + | 11 10 1 0 0 0 0 |
| − | 11 14 2 0 0 0 0 | + | 11 14 2 0 0 0 0 |
| − | 11 13 1 0 0 0 0 | + | 11 13 1 0 0 0 0 |
| − | 19 16 1 0 0 0 0 | + | 19 16 1 0 0 0 0 |
| − | 16 15 1 0 0 0 0 | + | 16 15 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 16 18 1 0 0 0 0 | + | 16 18 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMSUM6He--15 | + | ID BMSUM6He--15 |
| − | NAME 1D-myo-Inositol 4,5-bisphosphate | + | NAME 1D-myo-Inositol 4,5-bisphosphate |
| − | FORMULA C6H14O12P2 | + | FORMULA C6H14O12P2 |
| − | EXACTMASS 339.996 | + | EXACTMASS 339.996 |
| − | AVERAGEMASS 340.1156 | + | AVERAGEMASS 340.1156 |
| − | SMILES O[C@H]([C@H](O)1)[C@H](O)[C@@H](OP(O)(O)=O)[C@@H]([C@@H](O)1)OP(O)(O)=O | + | SMILES O[C@H]([C@H](O)1)[C@H](O)[C@@H](OP(O)(O)=O)[C@@H]([C@@H](O)1)OP(O)(O)=O |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04064 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04064 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
20 20 0 0 1 0 0 0 0 0999 V2000
3.7321 1.6830 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.8660 1.1830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.8660 0.1830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.7321 -0.3170 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.5981 0.1830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5981 1.1830 0.0000 C 0 0 1 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
2.0000 1.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.8170 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
2.3660 -0.9510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3660 -2.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.1830 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
6.8301 -0.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8301 1.0490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 6 1 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
4 3 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
1 7 1 1 0 0 0
3 9 1 1 0 0 0
5 15 1 1 0 0 0
6 20 1 6 0 0 0
2 8 1 1 0 0 0
4 10 1 6 0 0 0
12 11 1 0 0 0 0
11 10 1 0 0 0 0
11 14 2 0 0 0 0
11 13 1 0 0 0 0
19 16 1 0 0 0 0
16 15 1 0 0 0 0
16 17 2 0 0 0 0
16 18 1 0 0 0 0
S SKP 7
ID BMSUM6He--15
NAME 1D-myo-Inositol 4,5-bisphosphate
FORMULA C6H14O12P2
EXACTMASS 339.996
AVERAGEMASS 340.1156
SMILES O[C@H]([C@H](O)1)[C@H](O)[C@@H](OP(O)(O)=O)[C@@H]([C@@H](O)1)OP(O)(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04064
M END
