BioLiP

PDB

BioLiP

PDB CCD ID:

6OA

Number of entries in BioLiP:

Chemical formula:

C6 H8 O4

InChI:

InChI=1S/C6H8O4/c7-4-2-1-3-5(8)6(9)10/h1-3,7-8H,4H2,(H,9,10)/b2-1+,5-3-

InChIKey:

YRYDCWGBHNTXLE-WFTYEQLWSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	C(/C=C/C=C(/C(=O)O)\O)O
OpenEye OEToolkits 1.7.6	C(C=CC=C(C(=O)O)O)O
CACTVS 3.385	OCC=CC=C(O)C(O)=O
CACTVS 3.385	OC\C=C\C=C(/O)C(O)=O
ACDLabs 12.01	O=C(O)C(\O)=C\C=C\CO

Name:

(2Z,4E)-2,6-dihydroxyhexa-2,4-dienoic acid

ZINC:

ZINC000263621304

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).