Mol:BMSUM5Ke--09
From Metabolomics.JP
(Difference between revisions)
(New page: Copyright: ARM project http://www.metabolome.jp/ 15 14 0 0 0 0 0 0 0 0999 V2000 15.9407 -17.7721 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.9407 -16.7404 ...) |
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Copyright: ARM project http://www.metabolome.jp/ | Copyright: ARM project http://www.metabolome.jp/ | ||
15 14 0 0 0 0 0 0 0 0999 V2000 | 15 14 0 0 0 0 0 0 0 0999 V2000 | ||
| − | 15.9407 - | + | 15.9407 -15.3077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
15.9407 -16.7404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | 15.9407 -16.7404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
| + | 15.9407 -17.7721 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | ||
15.9407 -19.1979 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | 15.9407 -19.1979 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | ||
| − | |||
| − | |||
| − | |||
15.9407 -20.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | 15.9407 -20.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
| − | |||
| − | |||
17.1759 -21.3466 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | 17.1759 -21.3466 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | ||
| − | |||
18.4180 -20.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | 18.4180 -20.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
| − | + | 17.1759 -14.5916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| + | 18.6019 -14.5916 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 | ||
18.6019 -13.1656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | 18.6019 -13.1656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | ||
18.5954 -16.0240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | 18.5954 -16.0240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | ||
| − | + | 20.0279 -14.5916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| − | + | 17.3665 -16.7404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| − | 1 | + | 17.3665 -17.7721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2 | + | 17.3665 -19.1979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2 | + | 1 8 1 0 0 0 |
| − | 3 | + | 2 1 1 0 0 0 |
| − | 3 | + | 2 13 2 0 0 0 |
| − | + | 3 2 1 0 0 0 | |
| − | + | 3 4 1 0 0 0 | |
| − | + | 3 14 1 0 0 0 | |
| − | + | 4 5 1 0 0 0 | |
| − | + | 4 15 1 0 0 0 | |
| − | + | 5 6 1 0 0 0 | |
| − | 11 | + | 6 7 1 0 0 0 |
| − | S SKP | + | 8 9 1 0 0 0 |
| − | NAME | + | 9 10 1 0 0 0 |
| + | 9 11 2 0 0 0 | ||
| + | 9 12 1 0 0 0 | ||
| + | S SKP 7 | ||
| + | NAME (3,4-Dihydroxy-5-methylsulfanyl-2-oxopentyl) dihydrogen phosphate | ||
| + | CAS_RN 629647-82-1 | ||
ID BMSUM5Ke--09 | ID BMSUM5Ke--09 | ||
FORMULA C6H13O7PS | FORMULA C6H13O7PS | ||
EXACTMASS 260.01195996999996 | EXACTMASS 260.01195996999996 | ||
AVERAGEMASS 260.202981 | AVERAGEMASS 260.202981 | ||
| + | SMILES CSCC(O)C(O)C(=O)COP(O)(O)=O | ||
SMILES CSCC(O)C(O)C(=O)COP(O)(O)=O | SMILES CSCC(O)C(O)C(=O)COP(O)(O)=O | ||
M END | M END | ||
Latest revision as of 18:26, 17 June 2010
Copyright: ARM project http://www.metabolome.jp/ 15 14 0 0 0 0 0 0 0 0999 V2000 15.9407 -15.3077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9407 -16.7404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9407 -17.7721 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.9407 -19.1979 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.9407 -20.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1759 -21.3466 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 18.4180 -20.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1759 -14.5916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6019 -14.5916 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 18.6019 -13.1656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5954 -16.0240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0279 -14.5916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3665 -16.7404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3665 -17.7721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3665 -19.1979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 2 1 1 0 0 0 2 13 2 0 0 0 3 2 1 0 0 0 3 4 1 0 0 0 3 14 1 0 0 0 4 5 1 0 0 0 4 15 1 0 0 0 5 6 1 0 0 0 6 7 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 9 11 2 0 0 0 9 12 1 0 0 0 S SKP 7 NAME (3,4-Dihydroxy-5-methylsulfanyl-2-oxopentyl) dihydrogen phosphate CAS_RN 629647-82-1 ID BMSUM5Ke--09 FORMULA C6H13O7PS EXACTMASS 260.01195996999996 AVERAGEMASS 260.202981 SMILES CSCC(O)C(O)C(=O)COP(O)(O)=O SMILES CSCC(O)C(O)C(=O)COP(O)(O)=O M END
