BioLiP

PDB

BioLiP

PDB CCD ID:

YVR

Number of entries in BioLiP:

Chemical formula:

C5 H8 O2

InChI:

InChI=1S/C5H8O2/c1-4-2-3-5(6)7-4/h4H,2-3H2,1H3/t4-/m0/s1

InChIKey:

GAEKPEKOJKCEMS-BYPYZUCNSA-N

SMILES:

Software	SMILES
CACTVS 3.385	C[CH]1CCC(=O)O1
CACTVS 3.385 OpenEye OEToolkits 2.0.6	C[C@H]1CCC(=O)O1
OpenEye OEToolkits 2.0.6	CC1CCC(=O)O1

Name:

gamma-Valerolactone

ZINC:

ZINC000003860819

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).