RefMet Compound Details

MW structure49854 (View MW Metabolite Database details)
RefMet nameMethanolphosphate
Systematic namemethyl dihydrogen phosphate
SMILESCOP(=O)(O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass111.992548 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaCH5O4PView other entries in RefMet with this formula
InChIKeyCAAULPUQFIIOTL-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassPhosphate esters
Sub ClassMonoalkyl phosphates
Pubchem CID13130
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)