Mol:BMFYB5CAe006
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 14 13 0 0 1 0 0 0 0 0999 V2000 | + | 14 13 0 0 1 0 0 0 0 0999 V2000 |
| − | 5.5981 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5981 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7321 1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 4.7321 1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 3.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2321 1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2321 1.8660 0.0000 C 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 |
| − | 4.7321 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7321 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.2321 0.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.2321 0.1340 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 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 6 1 6 0 0 0 | + | 3 6 1 6 0 0 0 |
| − | 3 9 1 1 0 0 0 | + | 3 9 1 1 0 0 0 |
| − | 1 7 1 0 0 0 0 | + | 1 7 1 0 0 0 0 |
| − | 1 8 2 0 0 0 0 | + | 1 8 2 0 0 0 0 |
| − | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 10 1 0 0 0 0 | + | 5 10 1 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 11 14 1 0 0 0 0 | + | 11 14 1 0 0 0 0 |
| − | 11 13 1 0 0 0 0 | + | 11 13 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMFYB5CAe006 | + | ID BMFYB5CAe006 |
| − | NAME ( | + | NAME (3R) -3-Hydroxy-3-methyl-5-phosphonooxypentanoic acid |
| − | FORMULA C6H13O7P | + | CAS_RN 1189-94-2 |
| − | EXACTMASS 228.0398 | + | FORMULA C6H13O7P |
| − | AVERAGEMASS 228.1369 | + | EXACTMASS 228.0398 |
| − | SMILES OC(=O)C[C@@](C)(O)CCOP(O)(O)=O | + | AVERAGEMASS 228.1369 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01107 | + | SMILES OC(=O)C[C@@](C)(O)CCOP(O)(O)=O |
| + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01107 | ||
M END | M END | ||
| − | |||
Latest revision as of 17:42, 16 June 2010
Copyright: ARM project http://www.metabolome.jp/
14 13 0 0 1 0 0 0 0 0999 V2000
5.5981 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7321 1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2321 1.8660 0.0000 C 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
4.7321 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2321 0.1340 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
2 3 1 0 0 0 0
3 6 1 6 0 0 0
3 9 1 1 0 0 0
1 7 1 0 0 0 0
1 8 2 0 0 0 0
2 1 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 2 0 0 0 0
11 14 1 0 0 0 0
11 13 1 0 0 0 0
S SKP 7
ID BMFYB5CAe006
NAME (3R) -3-Hydroxy-3-methyl-5-phosphonooxypentanoic acid
CAS_RN 1189-94-2
FORMULA C6H13O7P
EXACTMASS 228.0398
AVERAGEMASS 228.1369
SMILES OC(=O)C[C@@](C)(O)CCOP(O)(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01107
M END
