BioLiP

PDB

BioLiP

PDB CCD ID:

EME

Number of entries in BioLiP:

Chemical formula:

C6 H11 N O4

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

SMILES:

Software	SMILES
CACTVS 3.370	CN[CH](CCC(O)=O)C(O)=O
OpenEye OEToolkits 1.7.6	CN[C@@H](CCC(=O)O)C(=O)O
CACTVS 3.370	CN[C@@H](CCC(O)=O)C(O)=O
OpenEye OEToolkits 1.7.6	CNC(CCC(=O)O)C(=O)O
ACDLabs 12.01	O=C(O)C(NC)CCC(=O)O

Name:

N-methyl-L-glutamic acid

ZINC:

ZINC000000895472

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).