BioLiP

PDB

BioLiP

PDB CCD ID:

KR0

Number of entries in BioLiP:

Chemical formula:

C23 H44 O4

InChI:

InChI=1S/C23H44O4/c1-3-5-7-9-11-13-15-18-22(24)26-20-17-21-27-23(25)19-16-14-12-10-8-6-4-2/h3-21H2,1-2H3

InChIKey:

PXVAQENAIBBOHT-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 1.7.6	CCCCCCCCCC(=O)OCCCOC(=O)CCCCCCCCC

Name:

3-decanoyloxypropyl decanoate

ZINC:

ZINC000165308908

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).