BioLiP

PDB

BioLiP

PDB CCD ID:

FMR

Number of entries in BioLiP:

Chemical formula:

C4 H2 O4

InChI:

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

InChIKey:

VZCYOOQTPOCHFL-OWOJBTEDSA-L

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	C(=CC(=O)[O-])C(=O)[O-]
ACDLabs 12.01 CACTVS 3.370	[O-]C(=O)\C=C\C([O-])=O
CACTVS 3.370	[O-]C(=O)C=CC([O-])=O
OpenEye OEToolkits 1.7.6	C(=C/C(=O)[O-])\C(=O)[O-]

Name:

FUMARATE

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).