Marvin  10290911042D          

 10  9  0  0  1  0            999 V2000
   14.6945   -9.2945    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.4044   -8.8829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9769   -8.8829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6945  -10.1175    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.1211   -9.2945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2644   -9.2945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9769   -8.0557    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8344   -8.8829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1211  -10.1140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9964  -10.5194    0.0000 C   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  1  1  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  4 10  1  0  0  0  0
M  END
> <ID>
CHEBI:31882

> <NAME>
N-methyl-D-aspartic acid

> <DEFINITION>
An aspartic acid derivative having an N-methyl substituent and D-configuration.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:164776

> <SYNONYM>
NMDA; N-Methylaspartate; N-Methyl-D-aspartic acid; N-Methyl-D-aspartate; N-Methyl aspartic acid; Methyl aspartic acid; 2-Methylamino-succinic acid; (R)-2-Methylamino-succinic acid

> <IUPAC_NAME>
N-methyl-D-aspartic acid

> <FORMULA>
C5H9NO4

> <MASS>
147.12930

> <MONOISOTOPIC_MASS>
147.05316

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C5H9NO4/c1-6-3(5(9)10)2-4(7)8/h3,6H,2H2,1H3,(H,7,8)(H,9,10)/t3-/m1/s1

> <INCHIKEY>
HOKKHZGPKSLGJE-GSVOUGTGSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1724431

> <CAS_REGISTRY_NUMBER>
6384-92-5

> <REAXYS_REGISTRY_NUMBER>
1724431

> <CHEMIDPLUS>
6384-92-5

> <KEGG_COMPOUND_ACCESSION>
C12269

> <METACYC_ACCESSION>
CPD-10705

> <PDBECHEM_ACCESSION>
OEM

> <WIKIPEDIA_ACCESSION>
N-Methyl-D-aspartic_acid

> <PUBMED_CITATION>
10514280; 10893301; 1967316; 2170646; 3351864; 8568805; 9572889

$$$$