ChEBI
  Marvin  07170916492D          

 12 11  0  0  1  0            999 V2000
   12.6541   -6.9657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9396   -6.5532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9396   -5.7282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2251   -6.9657    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.2251   -7.7907    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5106   -6.5532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7962   -6.9657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0817   -6.5532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7962   -7.7907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9396   -8.2032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9396   -9.0282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6540   -7.7907    0.0000 R#  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  1  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  2  0  0  0  0
  5 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
M  END
> <ID>
CHEBI:21647

> <NAME>
N-acyl-L-aspartic acid

> <DEFINITION>
L-Aspartic acid substituted at nitrogen by an acyl group.

> <STAR>
3

> <SYNONYM>
N-acyl-L-aspartic acids

> <FORMULA>
C5H6NO5R

> <MASS>
160.10480

> <MONOISOTOPIC_MASS>
160.02460

> <CHARGE>
0

> <SMILES>
OC(=O)C[C@H](NC([*])=O)C(O)=O

> <KEGG_COMPOUND_ACCESSION>
C02715

$$$$