(2S)-2-azaniumyl-4-carbamoylpent-4-enoate
  CDK    2/12/10,15:27

 11 10  0  0  0  0  0  0  0  0999 V2000
   -0.7145   -0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.0125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    1.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    1.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  1  3  1  0  0  0  0 
  1  4  2  0  0  0  0 
  2 10  2  0  0  0  0 
  2 11  1  0  0  0  0 
  3  5  1  0  0  0  0 
  5  6  1  0  0  0  0 
  5  7  1  1  0  0  0 
  6  8  2  0  0  0  0 
  6  9  1  0  0  0  0 
M  CHG  1   7   1
M  CHG  1   9  -1
M  END
> <ID>
CHEBI:57879

> <NAME>
4-methylene-L-glutamine zwitterion

> <DEFINITION>
Zwitterionic form of 4-methylene-L-glutamine having an anionic carboxy group and a cationic amino group; major species at pH 7.3.

> <STAR>
3

> <SYNONYM>
4-methylene-L-glutamine; (2S)-2-ammonio-4-carbamoylpent-4-enoate

> <IUPAC_NAME>
(2S)-2-azaniumyl-4-carbamoylpent-4-enoate

> <FORMULA>
C6H10N2O3

> <MASS>
158.15520

> <MONOISOTOPIC_MASS>
158.06914

> <CHARGE>
0

> <SMILES>
NC(=O)C(=C)C[C@H]([NH3+])C([O-])=O

> <INCHI>
InChI=1S/C6H10N2O3/c1-3(5(8)9)2-4(7)6(10)11/h4H,1-2,7H2,(H2,8,9)(H,10,11)/t4-/m0/s1

> <INCHIKEY>
CEVQXWMPODOBRM-BYPYZUCNSA-N

$$$$