Marvin  11080613402D          

 10  9  0  0  1  0            999 V2000
    1.3575    0.9487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3575    0.1237    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   -0.2888    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.6430   -1.1138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0714    0.1237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7859   -0.2888    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
   -2.2149   -0.2887    0.0000 N   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  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
  7  6  1  0  0  0  0
 10  8  2  0  0  0  0
  9  8  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
> <ID>
CHEBI:28300

> <NAME>
glutamine

> <DEFINITION>
An ?-amino acid that consists of butyric acid bearing an amino substituent at position 2 and a carbamoyl substituent at position 4.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:5432; CHEBI:24316

> <SYNONYM>
Hgln; Glutaminsaeure-5-amid; Glutamine; Glutamin; glutamic acid gamma-amide; 2-Aminoglutaramic acid; 2-amino-4-carbamoylbutanoic acid; 2,5-diamino-5-oxopentanoic acid

> <IUPAC_NAME>
glutamine

> <FORMULA>
C5H10N2O3

> <MASS>
146.14458

> <MONOISOTOPIC_MASS>
146.06914

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)

> <INCHIKEY>
ZDXPYRJPNDTMRX-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1723795

> <CAS_REGISTRY_NUMBER>
6899-04-3

> <GMELIN_REGISTRY_NUMBER>
27318

> <REAXYS_REGISTRY_NUMBER>
1723795

> <CHEMIDPLUS>
6899-04-3

> <KEGG_COMPOUND_ACCESSION>
C00303

> <KNAPSACK_ACCESSION>
C00001359

> <WIKIPEDIA_ACCESSION>
Glutamine

$$$$