BioLiP

PDB

BioLiP

PDB CCD ID:

MAE

Number of entries in BioLiP:

Chemical formula:

C4 H4 O4

InChI:

InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1-

InChIKey:

VZCYOOQTPOCHFL-UPHRSURJSA-N

SMILES:

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

Name:

MALEIC ACID

ChEMBL:

CHEMBL539648

DrugBank:

DB04299

ZINC:

ZINC000012358683

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).