RefMet Compound Details

MW structure50302 (View MW Metabolite Database details)
RefMet name(R)-4'-Phosphopantothenic acid
Systematic name3-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanamido]propanoic acid
SMILESCC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass299.077003 (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
FormulaC9H18NO8PView other entries in RefMet with this formula
InChIKeyXHFVGHPGDLDEQO-ZETCQYMHSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassAmino acids
Pubchem CID41635
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)