Marvin  05200702402D          

 11 10  0  0  1  0            999 V2000
    1.2341    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6238    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2341    1.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5196   -0.1500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6238    1.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1949    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9093   -0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9486   -0.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5196   -0.9750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3383   -0.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2341   -1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  8  1  1  0  0  0  0
  7  2  1  0  0  0  0
  5  2  2  0  0  0  0
 10  2  1  0  0  0  0
  6  4  1  0  0  0  0
  4  9  1  1  0  0  0
  7  6  1  0  0  0  0
 11  9  1  0  0  0  0
M  END
> <ID>
CHEBI:16440

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

> <DEFINITION>
A N-methyl-L-α-amino acid with L-glutamic acid as the amino acid component.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:7311; CHEBI:21755

> <SYNONYM>
N-methylglutamic acid; N-Methyl-L-glutamic acid; N-methyl-L-glutamic acid; (2S)-2-(methylamino)pentanedioic acid

> <IUPAC_NAME>
N-methyl-L-glutamic acid

> <FORMULA>
C6H11NO4

> <MASS>
161.15588

> <MONOISOTOPIC_MASS>
161.06881

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C6H11NO4/c1-7-4(6(10)11)2-3-5(8)9/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-/m0/s1

> <INCHIKEY>
XLBVNMSMFQMKEY-BYPYZUCNSA-N

> <CAS_REGISTRY_NUMBER>
35989-16-3

> <REAXYS_REGISTRY_NUMBER>
2357675

> <CHEMIDPLUS>
35989-16-3

> <KEGG_COMPOUND_ACCESSION>
C01046

> <WIKIPEDIA_ACCESSION>
N-Methyl-L-glutamic_acid

> <PUBMED_CITATION>
5905132

$$$$