Marvin  12250717402D          

 13 12  0  0  1  0            999 V2000
   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  7  1  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  8  3  1  0  0  0  0
  3  4  1  1  0  0  0
  4  5  1  0  0  0  0
 13  5  2  0  0  0  0
  6  5  1  0  0  0  0
  7  9  1  0  0  0  0
 12  7  2  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
M  END
> <ID>
CHEBI:17533

> <NAME>
N-acetyl-L-glutamic acid

> <DEFINITION>
An N-acyl-L-amino acid that is L-glutamic acid in which one of the amine hydrogens is substituted by an acetyl group.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:21552; CHEBI:44335; CHEBI:7150

> <SYNONYM>
N-Acetylglutamic acid; N-acetyl-L-glutamic acid; N-Acetyl-L-glutamic acid; N-ACETYL-L-GLUTAMATE; N-Ac-Glu-OH; L-N-acetylglutamic acid; Acetylglutamic acid; acetylglutamic acid; Acetyl-L-glutamic acid; Ac-Glu-OH; (S)-2-(acetylamino)pentanedioic acid

> <IUPAC_NAME>
N-acetyl-L-glutamic acid; (2S)-2-acetamidopentanedioic acid

> <FORMULA>
C7H11NO5

> <MASS>
189.16598

> <MONOISOTOPIC_MASS>
189.06372

> <CHARGE>
0

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

> <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)/t5-/m0/s1

> <INCHIKEY>
RFMMMVDNIPUKGG-YFKPBYRVSA-N

> <CAS_REGISTRY_NUMBER>
1188-37-0

> <REAXYS_REGISTRY_NUMBER>
1727473

> <CHEMIDPLUS>
1188-37-0

> <DRUGBANK_ACCESSION>
DB04075

> <KEGG_COMPOUND_ACCESSION>
C00624

> <PDBECHEM_ACCESSION>
NLG

> <WIKIPEDIA_ACCESSION>
N-Acetylglutamic_acid

> <PUBMED_CITATION>
115331; 17190852; 17439666; 5924663; 6035272; 9037750

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