BioLiP

PDB

BioLiP

PDB CCD ID:

GNC

Number of entries in BioLiP:

Chemical formula:

C6 H12 N2 O3

InChI:

InChI=1S/C6H12N2O3/c1-8-4(6(10)11)2-3-5(7)9/h4,8H,2-3H2,1H3,(H2,7,9)(H,10,11)/t4-/m0/s1

InChIKey:

KSZFSNZOGAXEGH-BYPYZUCNSA-N

SMILES:

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

Name:

N~2~-methyl-L-glutamine

ZINC:

ZINC000006068333

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).