BioLiP

PDB

BioLiP

PDB CCD ID:

SYM

Number of entries in BioLiP:

Chemical formula:

C6 H10 N O4

InChI:

InChI=1S/C6H11NO4/c1-3(5(8)9)2-4(7)6(10)11/h3-4H,2,7H2,1H3,(H,8,9)(H,10,11)/p-1/t3-,4+/m1/s1

InChIKey:

KRKRAOXTGDJWNI-DMTCNVIQSA-M

SMILES:

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

Name:

2S,4R-4-METHYLGLUTAMATE

DrugBank:

DB03425

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).