BioLiP

PDB

BioLiP

PDB CCD ID:

2FU

Number of entries in BioLiP:

Chemical formula:

C4 H4 O2

InChI:

InChI=1S/C4H4O2/c5-3-1-2-4-6/h1-4H/b2-1+

InChIKey:

JGEMYUOFGVHXKV-OWOJBTEDSA-N

SMILES:

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

Name:

BUT-2-ENEDIAL

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).