Ketcher 01082110542D 1   1.00000     0.00000     0

 22 22  0     1  0            999 V2000
   -4.4619   -3.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3449   -3.0905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1928   -3.6205    0.0000 *   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3797   -2.0910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5317   -1.5612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5666   -0.5618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7185   -0.0319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7533    0.9675    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8355   -0.5013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2627   -1.6216    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2975   -0.6222    0.0000 *   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9053    1.4974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9402    2.4968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0921    3.0266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2262    4.5267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0921    4.0266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2262    2.5266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3601    3.0266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3601    4.0266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5059    4.5266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2262    5.5267    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7789    3.0414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0     0  0
  3  2  1  0     0  0
  4  2  1  0     0  0
  4 10  1  1     0  0
  5  4  1  0     0  0
  6  5  1  0     0  0
  9  7  2  0     0  0
  8  7  1  0     0  0
  6  7  1  0     0  0
 10 11  1  0     0  0
  8 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 15 16  1  0     0  0
 17 18  2  0     0  0
 18 19  1  0     0  0
 15 19  2  0     0  0
 16 14  2  0     0  0
 14 17  1  0     0  0
 19 20  1  0     0  0
 15 21  1  0     0  0
 13 22  1  6     0  0
M  END
> <ID>
CHEBI:167178

> <NAME>
N-[(2R)-2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]-L-glutamine residue

> <DEFINITION>
An α-amino-acid residue formed from N-[(2R)-2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]-L-glutamine.

> <STAR>
2

> <SYNONYM>
N-[(2R)-2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]-L-glutamine residue; 5-glutamyl noradrenaline residue

> <FORMULA>
C13H16N2O5

> <MASS>
280.277

> <MONOISOTOPIC_MASS>
280.10592

> <CHARGE>
0

> <SMILES>
O=C(*)[C@@H](N*)CCC(=O)NC[C@@H](C1=CC(=C(C=C1)O)O)O

> <PUBMED_CITATION>
23797785

$$$$