Ketcher 02111615522D 1   1.00000     0.00000     0

 12 11  0     1  0            999 V2000
    0.0000   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8661   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7320    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8661    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8661    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7320   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8661    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8661   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
 12  2  2  0     0  0
  3 10  1  0     0  0
  4  3  1  0     0  0
  5  1  1  1     0  0
  5  4  1  0     0  0
  6  5  1  0     0  0
 11  6  2  0     0  0
  7  6  1  0     0  0
  8  2  1  0     0  0
  9  3  2  0     0  0
M  CHG  2   7  -1  10  -1
M  END
> <ID>
CHEBI:16953

> <NAME>
N-acetyl-L-aspartate(2-)

> <DEFINITION>
A doubly-charged N-acyl-L-α-amino acid anion resulting from deprotonation of both carboxy groups of N-acetyl-L-aspartic acid.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:12574; CHEBI:7149; CHEBI:21546; CHEBI:87271

> <SYNONYM>
N-acetyl-L-aspartate; N-Acetyl-L-aspartate; (S)-2-(acetylamino)succinate

> <IUPAC_NAME>
(2S)-2-acetamidobutanedioate

> <FORMULA>
C6H7NO5

> <MASS>
173.124

> <MONOISOTOPIC_MASS>
173.03352

> <CHARGE>
-2

> <SMILES>
N(C(=O)C)[C@@H](CC([O-])=O)C(=O)[O-]

> <INCHI>
InChI=1S/C6H9NO5/c1-3(8)7-4(6(11)12)2-5(9)10/h4H,2H2,1H3,(H,7,8)(H,9,10)(H,11,12)/p-2/t4-/m0/s1

> <INCHIKEY>
OTCCIMWXFLJLIA-BYPYZUCNSA-L

> <GMELIN_REGISTRY_NUMBER>
2250815

> <KEGG_COMPOUND_ACCESSION>
C01042

> <METACYC_ACCESSION>
CPD-420

> <PUBMED_CITATION>
12718449; 14645985; 15836629; 16524379; 17190852; 18002959; 18293939; 18355643; 18835755; 19091459; 19531109; 19850131; 20398713; 20421982; 4377221

$$$$