BioLiP

PDB

BioLiP

PDB CCD ID:

HAA

Number of entries in BioLiP:

Chemical formula:

C8 H8 O4

InChI:

InChI=1/C8H8O4/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3,9-10H,4H2,(H,11,12)/f/h11H

InChIKey:

CFFZDZCDUFSOFZ-WXRBYKJCCU

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1cc(c(cc1CC(=O)O)O)O
CACTVS 3.341	OC(=O)Cc1ccc(O)c(O)c1
ACDLabs 10.04	O=C(O)Cc1cc(O)c(O)cc1

Name:

2-(3,4-DIHYDROXYPHENYL)ACETIC 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).