Ketcher 06151516452D 1   1.00000     0.00000     0

 13 13  0     1  0            999 V2000
   20.4068  -15.9533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2727  -16.4533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5408  -16.4533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6747  -17.9534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8088  -17.4534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8088  -16.4533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6747  -15.9533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5408  -17.4534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2727  -17.4534    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.1388  -15.9533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0049  -16.4533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.1388  -14.9534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6747  -18.9534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0     0  0
  2 10  1  0     0  0
  3  1  1  0     0  0
  5  4  1  0     0  0
  6  5  2  0     0  0
  7  6  1  0     0  0
  3  7  2  0     0  0
  3  8  1  0     0  0
  4  8  2  0     0  0
  2  9  1  1     0  0
 11 10  1  0     0  0
 12 10  2  0     0  0
  4 13  1  0     0  0
M  CHG  2   9   1  11  -1
M  END
> <ID>
CHEBI:78290

> <NAME>
L-m-tyrosine zwitterion

> <DEFINITION>
An L-α-amino acid zwitterion that is L-m-tyrosine in which a proton has been transferred from the carboxy group to the amino group.

> <STAR>
3

> <SYNONYM>
m-L-tyrosine zwitterion; L-meta-tyrosine zwitterion; 3-hydroxy-L-phenylalanine zwitterion; 3-hydroxy-L-phenylalanine

> <IUPAC_NAME>
(2S)-2-ammonio-3-(3-hydroxyphenyl)propanoate

> <FORMULA>
C9H11NO3

> <MASS>
181.18850

> <MONOISOTOPIC_MASS>
181.07389

> <CHARGE>
0

> <SMILES>
[NH3+][C@@H](Cc1cccc(O)c1)C([O-])=O

> <INCHI>
InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-2-1-3-7(11)4-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1

> <INCHIKEY>
JZKXXXDKRQWDET-QMMMGPOBSA-N

> <METACYC_ACCESSION>
CPD-14541

> <PUBMED_CITATION>
21615132

$$$$