BioLiP

PDB

BioLiP

PDB CCD ID:

CGA

Number of entries in BioLiP:

Chemical formula:

C7 H11 N O6

InChI:

InChI=1S/C7H11NO6/c8-4(7(12)13)1-2-6(11)14-3-5(9)10/h4H,1-3,8H2,(H,9,10)(H,12,13)

InChIKey:

ICGBNHCVKQCJHW-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C(O)COC(=O)CCC(C(=O)O)N
OpenEye OEToolkits 1.7.6	C(CC(=O)OCC(=O)O)C(C(=O)O)N
CACTVS 3.370	NC(CCC(=O)OCC(O)=O)C(O)=O

Name:

CARBOXYMETHYLATED 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).