BioLiP

PDB

BioLiP

PDB CCD ID:

TQG

Number of entries in BioLiP:

Chemical formula:

C14 H15 N O8

InChI:

InChI=1S/C14H15NO8/c16-11(15-10(14(21)22)4-5-12(17)18)7-23-9-3-1-2-8(6-9)13(19)20/h1-3,6,10H,4-5,7H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)/t10-/m0/s1

InChIKey:

ZYEJDCAIACBLPZ-JTQLQIEISA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(cc(c1)OCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O
CACTVS 3.385	OC(=O)CC[C@H](NC(=O)COc1cccc(c1)C(O)=O)C(O)=O
CACTVS 3.385	OC(=O)CC[CH](NC(=O)COc1cccc(c1)C(O)=O)C(O)=O
ACDLabs 12.01	O=C(O)CCC(C(O)=O)NC(COc1cccc(c1)C(O)=O)=O
OpenEye OEToolkits 2.0.7	c1cc(cc(c1)OCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O

Name:

N-[(3-carboxyphenoxy)acetyl]-L-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).