BioLiP

PDB

BioLiP

PDB CCD ID:

H3M

Number of entries in BioLiP:

Chemical formula:

C5 H6 O3

InChI:

InChI=1S/C5H6O3/c1-3-2-4(6)8-5(3)7/h2,4,6H,1H3/t4-/m1/s1

InChIKey:

HQIZYPQNJWENRT-SCSAIBSYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC1=C[CH](O)OC1=O
OpenEye OEToolkits 2.0.7	CC1=CC(OC1=O)O
OpenEye OEToolkits 2.0.7	CC1=C[C@@H](OC1=O)O
ACDLabs 12.01	O=C1OC(O)C=C1C
CACTVS 3.385	CC1=C[C@H](O)OC1=O

Name:

(5R)-5-hydroxy-3-methylfuran-2(5H)-one

ZINC:

ZINC000014490248

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).