Marvin  12130715422D          

 11 10  0  0  1  0            999 V2000
    0.7145   -1.0125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.1875    0.0000 C   0  0  1  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   -0.1875    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
   -1.4289    0.2250    0.0000 C   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    0.2250    0.0000 C   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
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
M  END
> <ID>
CHEBI:48031

> <NAME>
4-methylene-L-glutamic acid

> <DEFINITION>
The L-enantiomer of 4-methyleneglutamic acid.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:1899; CHEBI:20445

> <SYNONYM>
4-methylene-L-glutamic acid; 4-Methylene-L-glutamate

> <IUPAC_NAME>
4-methylidene-L-glutamic acid; (2S)-2-amino-4-methylidenepentanedioic acid

> <FORMULA>
C6H9NO4

> <MASS>
159.14000

> <MONOISOTOPIC_MASS>
159.05316

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C6H9NO4/c1-3(5(8)9)2-4(7)6(10)11/h4H,1-2,7H2,(H,8,9)(H,10,11)/t4-/m0/s1

> <INCHIKEY>
RCCMXKJGURLWPB-BYPYZUCNSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1724834

> <CAS_REGISTRY_NUMBER>
16804-57-2

> <CHEMIDPLUS>
16804-57-2

> <KEGG_COMPOUND_ACCESSION>
C00651

$$$$