BioLiP

PDB

BioLiP

PDB CCD ID:

2VS

Number of entries in BioLiP:

Chemical formula:

C6 H6 O4

InChI:

InChI=1S/C6H6O4/c7-4-2-1-3-5(8)6(9)10/h1-4,8H,(H,9,10)/b2-1+,5-3-

InChIKey:

KGLCZTRXNNGESL-WFTYEQLWSA-N

SMILES:

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

Name:

(2Z,4E)-2-hydroxy-6-oxohexa-2,4-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).