RefMet Compound Details

MW structure54450 (View MW Metabolite Database details)
RefMet name4-Hydroxyphenylglycine
Systematic name(2S)-amino(4-hydroxyphenyl)acetic acid
SMILESN[C@@H](c1ccc(O)cc1)C(O)=O
Exact mass167.058244 (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
FormulaC8H9NO3View other entries in RefMet with this formula
InChIInChI=1S/C8H9NO3/c9-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7,10H,9H2,(H,11,12)/t7-/m0/s1
InChIKeyLJCWONGJFPCTTL-ZETCQYMHSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassAmino acids
Pubchem CID36143
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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