BioLiP

PDB

BioLiP

PDB CCD ID:

MGN

Number of entries in BioLiP:

Chemical formula:

C6 H12 N2 O3

InChI:

InChI=1S/C6H12N2O3/c1-6(8,5(10)11)3-2-4(7)9/h2-3,8H2,1H3,(H2,7,9)(H,10,11)/t6-/m0/s1

InChIKey:

YLTNWAQTQJRBKR-LURJTMIESA-N

SMILES:

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

Name:

2-METHYL-GLUTAMINE

ZINC:

ZINC000001675043

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).