RefMet Compound Details

RefMet IDRM0132196
MW structure38812 (View MW Metabolite Database details)
RefMet nameO-Phosphotyrosine   Species distribution   Sample source distribution
Systematic name(2S)-2-amino-3-[4-(phosphonooxy)phenyl]propanoic acid
SMILESc1cc(ccc1C[C@@H](C(=O)O)N)OP(=O)(O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass261.040224 (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
FormulaC9H12NO6PView other entries in RefMet with this formula
InChIInChI=1S/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1
InChIKeyDCWXELXMIBXGTH-QMMMGPOBSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassAmino acids
Pubchem CID30819
ChEBI ID37788
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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