BioLiP

PDB

BioLiP

PDB CCD ID:

6UN

Number of entries in BioLiP:

Chemical formula:

C6 H6 O4

InChI:

InChI=1S/C6H6O4/c7-4-2-1-3-5(8)6(9)10/h1-4,7H,(H,9,10)/b3-1+,4-2+

InChIKey:

MTOBWJUHQXQURZ-ZPUQHVIOSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.5	C(=C/C(=O)C(=O)O)\C=C\O
CACTVS 3.385	OC=CC=CC(=O)C(O)=O
OpenEye OEToolkits 2.0.5	C(=CC(=O)C(=O)O)C=CO
CACTVS 3.385	O\C=C\C=C\C(=O)C(O)=O

Name:

(3~{E},5~{E})-6-oxidanyl-2-oxidanylidene-hexa-3,5-dienoic 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).