Marvin  07171215112D          

 13 13  0  0  1  0            999 V2000
    1.8098    1.4608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8098    0.6358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0953    0.2233    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0953   -0.6017    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.3809    0.6358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3336    0.2233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3336   -0.6017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0481    0.6358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7625    0.2233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0481   -1.0142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7625   -0.6017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4770   -1.0142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5243    0.2233    0.0000 *   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
 13  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  1  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
 10  7  1  0  0  0  0
 11  9  1  0  0  0  0
 10 11  2  0  0  0  0
 12 11  1  0  0  0  0
M  CHG  1   4   1
M  END
> <ID>
CHEBI:65248

> <NAME>
L-tyrosiniumyl group

> <DEFINITION>
The organic cationic group formed from L-tyrosinium; the major structure at pH 7.3 of the L-tyrosyl group, formed by protonation of the α-amino group.

> <STAR>
3

> <SYNONYM>
L-tyrosyl(1+) group; L-tyrosyl(1+); L-tyrosyl group

> <IUPAC_NAME>
(2S)-2-azaniumyl-3-(4-hydroxyphenyl)propanoyl; (2S)-2-ammonio-3-(4-hydroxyphenyl)propanoyl

> <FORMULA>
C9H11NO2

> <MASS>
165.18910

> <MONOISOTOPIC_MASS>
165.07898

> <CHARGE>
1

> <SMILES>
O=C(*)[C@@H]([NH3+])CC1=CC=C(C=C1)O

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