Mol:BMFYB3PHb001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
16 15 0 0 1 0 0 0 0 0999 V2000
3.8660 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -2.7500 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
2.0000 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0000 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4641 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4641 2.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.5981 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3301 3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3301 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5981 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7321 0.2500 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
4.2321 1.1160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2321 -0.6160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7 10 1 0 0 0 0
7 8 1 0 0 0 0
8 11 1 1 0 0 0
8 9 1 0 0 0 0
9 12 1 0 0 0 0
12 13 1 0 0 0 0
13 15 1 0 0 0 0
13 16 1 0 0 0 0
13 14 2 0 0 0 0
15 1 1 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 6 1 0 0 0 0
3 5 1 0 0 0 0
3 4 1 0 0 0 0
S SKP 7
ID BMFYB3PHb001
NAME 2- [ [(2R) -2,3-Dihydroxypropoxy] -hydroxyphosphoryl] oxyethyl-trimethylazanium
CAS_RN 744979-78-0
FORMULA C8H21NO6P
EXACTMASS 258.1106
AVERAGEMASS 258.2292
SMILES OC[C@@H](O)COP(O)(=O)OCC[N+1](C)(C)C
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00670
M END
