Marvin  05190718272D          

 10  9  0  0  0  0            999 V2000
    1.3575    0.9488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3575    0.1238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0720   -0.2887    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6430   -0.2887    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.6430   -1.1137    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0714    0.1238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5004    0.1238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5004    0.9488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2149   -0.2887    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7859   -0.2887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  0  0  0  0
  6  4  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  7  1  0  0  0  0
  6 10  1  0  0  0  0
M  END
> <ID>
CHEBI:18237

> <NAME>
glutamic acid

> <DEFINITION>
An α-amino acid that is glutaric acid bearing a single amino substituent at position 2.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:24314; CHEBI:5431

> <SYNONYM>
Glutaminsaeure; Glutaminic acid; Glutamic acid; Glutamate; Glu; E; DL-Glutaminic acid; DL-Glutamic acid; 2-Aminoglutaric acid

> <IUPAC_NAME>
glutamic acid; 2-aminopentanedioic acid

> <FORMULA>
C5H9NO4

> <MASS>
147.12930

> <MONOISOTOPIC_MASS>
147.05316

> <CHARGE>
0

> <SMILES>
NC(CCC(O)=O)C(O)=O

> <INCHI>
InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)

> <INCHIKEY>
WHUUTDBJXJRKMK-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1723799

> <CAS_REGISTRY_NUMBER>
617-65-2

> <GMELIN_REGISTRY_NUMBER>
101971

> <REAXYS_REGISTRY_NUMBER>
1723799

> <CHEMIDPLUS>
617-65-2

> <KEGG_COMPOUND_ACCESSION>
C00302

> <KEGG_DRUG_ACCESSION>
D04341

> <KNAPSACK_ACCESSION>
C00019577

> <NIST_CHEMISTRY_WEBBOOK>
617-65-2

> <WIKIPEDIA_ACCESSION>
Glutamic_acid

> <PUBMED_CITATION>
15739367; 17190852; 24616376; 24984001

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