Mrv0541 01091510422D          

 19 19  0  0  0  0            999 V2000
   -0.7071    0.4420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0073    0.0295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7218    0.4420    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4363    0.0295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1507    0.4420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8652    0.0295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5797    0.4420    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2942    0.0295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4363   -0.7955    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5797    1.2670    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.2942   -0.7954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0087    0.4420    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.4216    0.0295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1361    0.4420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8505    0.0295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8505   -0.7955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1361   -1.2080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4216   -0.7955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5650   -1.2080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  1  2  1  0  0  0  0
  4  9  2  0  0  0  0
  7 10  1  6  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
  1 13  1  0  0  0  0
 18 13  1  0  0  0  0
 14 13  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 16 19  1  0  0  0  0
M  CHG  2  10   1  12  -1
M  END
> <ID>
CHEBI:83425

> <NAME>
gamma-glutamyltyramine zwitterion

> <DEFINITION>
An L-α-amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of γ-glutamyltyramine

> <STAR>
3

> <SYNONYM>
N-(gamma-L-glutamyl)tyramine zwitterion; N-(gamma-glutamyl)tyramine zwitterion; gamma-L-glutamyltyramine zwitterion; gamma-L-glutamyltyramine

> <IUPAC_NAME>
(2S)-2-azaniumyl-5-{[2-(4-hydroxyphenyl)ethyl]amino}-5-oxopentanoate

> <FORMULA>
C13H18N2O4

> <MASS>
266.29300

> <MONOISOTOPIC_MASS>
266.12666

> <CHARGE>
0

> <SMILES>
[NH3+][C@@H](CCC(=O)NCCc1ccc(O)cc1)C([O-])=O

> <INCHI>
InChI=1S/C13H18N2O4/c14-11(13(18)19)5-6-12(17)15-8-7-9-1-3-10(16)4-2-9/h1-4,11,16H,5-8,14H2,(H,15,17)(H,18,19)/t11-/m0/s1

> <INCHIKEY>
ICIIWGMCNMZIQX-NSHDSACASA-N

> <METACYC_ACCESSION>
CPD-17179

> <PUBMED_CITATION>
25211225

$$$$