ChEBI
  Marvin  05151210392D          

 12 12  0  0  0  0            999 V2000
   12.5050   -6.0272    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   11.7905   -5.6147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7905   -4.7897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0760   -6.0272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0760   -6.8523    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3615   -5.6147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6470   -6.0272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6470   -6.8522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9326   -5.6147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2181   -6.0272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9326   -7.2647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2181   -6.8522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  2  0  0  0  0
 11  8  1  0  0  0  0
 12 10  1  0  0  0  0
 11 12  2  0  0  0  0
M  CHG  1   1  -1
M  END
> <ID>
CHEBI:32504

> <NAME>
phenylalaninate

> <DEFINITION>
An aromatic amino-acid anion that is the conjugate base of phenylalanine, arising from deprotonation of the carboxy group.

> <STAR>
3

> <SYNONYM>
phenylalanine anion; 2-amino-3-phenylpropanoate

> <IUPAC_NAME>
phenylalaninate

> <FORMULA>
C9H10NO2

> <MASS>
164.18120

> <MONOISOTOPIC_MASS>
164.07170

> <CHARGE>
-1

> <SMILES>
NC(Cc1ccccc1)C([O-])=O

> <INCHI>
InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/p-1

> <INCHIKEY>
COLNVLDHVKWLRT-UHFFFAOYSA-M

> <GMELIN_REGISTRY_NUMBER>
329083

$$$$