BioLiP

PDB

BioLiP

PDB CCD ID:

CCU

Number of entries in BioLiP:

Chemical formula:

C6 H6 O4

InChI:

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

InChIKey:

TXXHDPDFNKHHGW-CCAGOZQPSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C(=C/C(=O)O)/C=C\C(=O)O
CACTVS 3.341	OC(=O)/C=C\C=C/C(O)=O
OpenEye OEToolkits 1.5.0	C(=CC(=O)O)C=CC(=O)O
CACTVS 3.341	OC(=O)C=CC=CC(O)=O
ACDLabs 10.04	O=C(O)\C=C/C=C\C(=O)O

Name:

(2Z,4Z)-HEXA-2,4-DIENEDIOIC ACID;
CIS,CIS-MUCONIC ACID

ZINC:

ZINC000012405128

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).