Mol:BMSUM4He--01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
13 12 0 0 1 0 0 0 0 0999 V2000
5.5981 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7321 1.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.8660 0.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.8660 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2321 2.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5981 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2321 0.3840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -1.7500 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0000 -1.7500 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
2 5 1 6 0 0 0
2 7 1 1 0 0 0
3 4 1 0 0 0 0
4 9 1 0 0 0 0
3 8 1 1 0 0 0
9 10 1 0 0 0 0
10 13 1 0 0 0 0
10 11 1 0 0 0 0
10 12 2 0 0 0 0
S SKP 7
ID BMSUM4He--01
NAME 2-C-methyl-D-erythritol 4-phosphate
FORMULA C5H13O7P
EXACTMASS 216.0398
AVERAGEMASS 216.1262
SMILES OC[C@@](C)(O)[C@H](O)COP(O)(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C11434
M END
