BioLiP

PDB

BioLiP

PDB CCD ID:

LMQ

Number of entries in BioLiP:

Chemical formula:

C6 H12 N2 O3

InChI:

InChI=1S/C6H12N2O3/c1-3(2-4(7)9)5(8)6(10)11/h3,5H,2,8H2,1H3,(H2,7,9)(H,10,11)/t3-,5-/m0/s1

InChIKey:

RWBLYSWJMSKZAL-UCORVYFPSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C[C@@H](CC(=O)N)[C@@H](C(=O)O)N
CACTVS 3.341	C[CH](CC(N)=O)[CH](N)C(O)=O
CACTVS 3.341	C[C@@H](CC(N)=O)[C@H](N)C(O)=O
OpenEye OEToolkits 1.5.0	CC(CC(=O)N)C(C(=O)O)N
ACDLabs 10.04	O=C(N)CC(C)C(N)C(=O)O

Name:

(3S)-3-methyl-L-glutamine;
beta-methylglutamine

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).