Ketcher 02121611032D 1   1.00000     0.00000     0

 13 12  0     1  0            999 V2000
   -0.8661    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8661    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8661   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8661   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7320    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7320    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  7  1  1  0     0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  8  3  1  0     0  0
  3  4  1  1     0  0
  4  5  1  0     0  0
 13  5  2  0     0  0
  6  5  1  0     0  0
  7  9  1  0     0  0
 12  7  2  0     0  0
  8 10  1  0     0  0
  8 11  2  0     0  0
M  CHG  2   9  -1  10  -1
M  END
> <ID>
CHEBI:44337

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

> <DEFINITION>
An N-acyl-L-α-amino acid anion resulting from deprotonation of both carboxy groups of N-acetyl-L-glutamic acid.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:64040; CHEBI:12575; CHEBI:87274

> <SYNONYM>
NAG; N-acetyl-L-glutamate; N-Acetyl-L-glutamate; acetyl-L-glutamate; (S)-2-(acetylamino)pentanedioate

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

> <FORMULA>
C7H9NO5

> <MASS>
187.150

> <MONOISOTOPIC_MASS>
187.04917

> <CHARGE>
-2

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

> <INCHI>
InChI=1S/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)11/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)/p-2/t5-/m0/s1

> <INCHIKEY>
RFMMMVDNIPUKGG-YFKPBYRVSA-L

> <CAS_REGISTRY_NUMBER>
1188-37-0

> <KEGG_COMPOUND_ACCESSION>
C00624

> <METACYC_ACCESSION>
ACETYL-GLU

> <PUBMED_CITATION>
19399372; 19754428

$$$$