BioLiP

PDB

BioLiP

PDB CCD ID:

A1J0G

Number of entries in BioLiP:

Chemical formula:

C7 H13 N O4

InChI:

InChI=1S/C7H13NO4/c1-7(2,3-4(9)10)5(8)6(11)12/h5H,3,8H2,1-2H3,(H,9,10)(H,11,12)/t5-/m1/s1

InChIKey:

KZIOHCWMCYWCOS-RXMQYKEDSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(C)(CC(=O)O)[C@@H](C(=O)O)N
CACTVS 3.385	CC(C)(CC(O)=O)[CH](N)C(O)=O
CACTVS 3.385	CC(C)(CC(O)=O)[C@H](N)C(O)=O
OpenEye OEToolkits 2.0.7	CC(C)(CC(=O)O)C(C(=O)O)N

Name:

dimethyl-glutamic acid

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).