ChEBI
  Marvin  10190515112D          

 10  9  0  0  0  0            999 V2000
   18.3431  -17.5864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3431  -16.7614    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.6286  -17.9989    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   17.6286  -18.8239    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9141  -17.5864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1997  -17.9989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4852  -17.5864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1997  -18.8239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0576  -17.9989    0.0000 *   0  0  0  0  0  0  0  0  0  0  0  0
   16.9141  -19.2364    0.0000 *   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  3  4  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  6  2  0  0  0  0
 10  4  1  0  0  0  0
M  END
> <ID>
CHEBI:32470

> <NAME>
aspartic acid residue

> <STAR>
3

> <SYNONYM>
aspartic residue; aspartic acid residue

> <FORMULA>
C4H5NO3

> <MASS>
115.08744

> <MONOISOTOPIC_MASS>
115.02694

> <CHARGE>
0

> <SMILES>
C(*)(=O)C(N*)CC(O)=O

$$$$