BioLiP

PDB

BioLiP

PDB CCD ID:

M8O

Number of entries in BioLiP:

Chemical formula:

C8 H8 O6

InChI:

InChI=1S/C8H8O6/c9-5(1-2-7(11)12)3-6(10)4-8(13)14/h1-2H,3-4H2,(H,11,12)(H,13,14)

InChIKey:

GACSIVHAIFQKTC-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C(/C=C\C(=O)O)CC(=O)CC(=O)O
CACTVS 3.385	OC(=O)CC(=O)CC(=O)\C=C/C(O)=O
OpenEye OEToolkits 1.9.2	C(C(=O)CC(=O)O)C(=O)C=CC(=O)O
CACTVS 3.385	OC(=O)CC(=O)CC(=O)C=CC(O)=O

Name:

4-Maleylacetoacetic 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).