BioLiP

PDB

BioLiP

PDB CCD ID:

U5N

Number of entries in BioLiP:

Chemical formula:

C5 H6 O2

InChI:

InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h2-4H,1H3/t4-/m1/s1

InChIKey:

BGLUXFNVVSVEET-SCSAIBSYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	C[C@H]1OC(=O)C=C1
OpenEye OEToolkits 2.0.7	C[C@@H]1C=CC(=O)O1
CACTVS 3.385	C[CH]1OC(=O)C=C1
OpenEye OEToolkits 2.0.7	CC1C=CC(=O)O1

Name:

(2~{R})-2-methyl-2~{H}-furan-5-one

ZINC:

ZINC000001596396

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).