3-nitrotyrosine

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 555
Total Number of Articles : 899
PubChem 65124
Molecular Formula

C9H10N2O5

SMILES

C1=CC(=C(C=C1C[C@@H](C(=O)O)N)[N+](=O)[O-])O

InChI

InChI=1S/C9H10N2O5/c10-6(9(13)14)3-5-1-2-8(12)7(4-5)11(15)16/h1-2,4,6,12H,3,10H2,(H,13,14)/t6-/m0/s1

synonyms
  • 3-Nitro-L-tyrosine
  • 621-44-3
  • H-Tyr(3-NO2)-OH
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Properties
Property Value
MW 226.19 g/mol
HBD 3
HBA 6
Rotatable Bond Count 3
Exact Mass 226.05897142 g/mol
Monoisotopic Mass 226.05897142 g/mol
Heavy Atom Count 16
Isotope Atom Count 0
Atom Stereo Count 1
Covalent Unit Count 1
Complexity 278
xlogp -2
Topological Polar Surface Area 129