BioLiP

PDB

BioLiP

PDB CCD ID:

BKN

Number of entries in BioLiP:

Chemical formula:

C8 H14 O3

InChI:

InChI=1S/C8H14O3/c1-3-11-8(10)6-4-5-7(2)9/h3-6H2,1-2H3

InChIKey:

MGPSIDGTLFKDEY-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CCOC(=O)CCCC(=O)C
CACTVS 3.385	CCOC(=O)CCCC(C)=O

Name:

ethyl 5-oxohexanoate

ZINC:

ZINC000002534768

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).