Mol:BMMCTZ--e008
From Metabolomics.JP
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 13 13 0 0 0 0 0 0 0 0999 V2000 | + | 13 13 0 0 0 0 0 0 0 0999 V2000 |
| − | 4.2756 -1.4099 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2756 -1.4099 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5847 -2.3610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5847 -2.3610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7756 -2.9488 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7756 -2.9488 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9666 -2.3610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9666 -2.3610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2756 -1.4099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2756 -1.4099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0156 -2.6700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0156 -2.6700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6879 -0.6009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6879 -0.6009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0946 0.3126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0946 0.3126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5068 1.1217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5068 1.1217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9135 2.0352 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9135 2.0352 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8271 1.6285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8271 1.6285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 2.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 2.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3203 2.9488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3203 2.9488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5 4 2 0 0 0 0 | + | 5 4 2 0 0 0 0 |
| − | 3 2 2 0 0 0 0 | + | 3 2 2 0 0 0 0 |
| − | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
| − | 1 5 1 0 0 0 0 | + | 1 5 1 0 0 0 0 |
| − | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
| − | 4 6 1 0 0 0 0 | + | 4 6 1 0 0 0 0 |
| − | 5 7 1 0 0 0 0 | + | 5 7 1 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 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 10 12 1 0 0 0 0 | + | 10 12 1 0 0 0 0 |
| − | 10 13 2 0 0 0 0 | + | 10 13 2 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMMCTZ--e008 | + | ID BMMCTZ--e008 |
| − | NAME 4-Methyl- | + | NAME 2- (4-Methyl-1,3-thiazol-5-yl) ethyl dihydrogen phosphate |
| − | FORMULA C6H10NO4PS | + | CAS_RN 3269-79-2 |
| − | EXACTMASS 223.0068 | + | FORMULA C6H10NO4PS |
| − | AVERAGEMASS 223.1877 | + | EXACTMASS 223.0068 |
| − | SMILES Cc(n1)c(CCOP(O)(O)=O)sc1 | + | AVERAGEMASS 223.1877 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04327 | + | SMILES Cc(n1)c(CCOP(O)(O)=O)sc1 |
| + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04327 | ||
M END | M END | ||
| − | |||
Latest revision as of 18:22, 17 June 2010
Copyright: ARM project http://www.metabolome.jp/
13 13 0 0 0 0 0 0 0 0999 V2000
4.2756 -1.4099 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
4.5847 -2.3610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7756 -2.9488 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.9666 -2.3610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2756 -1.4099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0156 -2.6700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6879 -0.6009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0946 0.3126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5068 1.1217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9135 2.0352 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
3.8271 1.6285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3203 2.9488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5 4 2 0 0 0 0
3 2 2 0 0 0 0
2 1 1 0 0 0 0
1 5 1 0 0 0 0
4 3 1 0 0 0 0
4 6 1 0 0 0 0
5 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
10 12 1 0 0 0 0
10 13 2 0 0 0 0
S SKP 7
ID BMMCTZ--e008
NAME 2- (4-Methyl-1,3-thiazol-5-yl) ethyl dihydrogen phosphate
CAS_RN 3269-79-2
FORMULA C6H10NO4PS
EXACTMASS 223.0068
AVERAGEMASS 223.1877
SMILES Cc(n1)c(CCOP(O)(O)=O)sc1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04327
M END
