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BioLiP

PDB CCD ID: OEM
Number of entries in BioLiP: 3
Chemical formula: C5 H9 N O4
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
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0CN[C@H](CC(=O)O)C(=O)O
CACTVS 3.370CN[C@H](CC(O)=O)C(O)=O
OpenEye OEToolkits 1.7.0CNC(CC(=O)O)C(=O)O
CACTVS 3.370CN[CH](CC(O)=O)C(O)=O
ACDLabs 12.01O=C(O)C(NC)CC(=O)O
Name:N-methyl-D-aspartic acid
ChEMBL: CHEMBL291278
ZINC: ZINC000000901012
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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