BioLiP

PDB

BioLiP

PDB CCD ID:

OEM

Number of entries in BioLiP:

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:

Software	SMILES
OpenEye OEToolkits 1.7.0	CN[C@H](CC(=O)O)C(=O)O
CACTVS 3.370	CN[C@H](CC(O)=O)C(O)=O
OpenEye OEToolkits 1.7.0	CNC(CC(=O)O)C(=O)O
CACTVS 3.370	CN[CH](CC(O)=O)C(O)=O
ACDLabs 12.01	O=C(O)C(NC)CC(=O)O

Name:

N-methyl-D-aspartic acid

ChEMBL:

CHEMBL291278

ZINC:

ZINC000000901012

Reference:

Chengxin Zhang, Xi Zhang, Lydia 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).