BioLiP

PDB

BioLiP

PDB CCD ID:

CNS

Number of entries in BioLiP:

Chemical formula:

C24 H48 O2

InChI:

InChI=1S/C24H48O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-19-21-23-26-24(25)22-20-18-8-6-4-2/h3-23H2,1-2H3

InChIKey:

DWMMZQMXUWUJME-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341 OpenEye OEToolkits 1.5.0	CCCCCCCCCCCCCCCCOC(=O)CCCCCCC
ACDLabs 10.04	O=C(OCCCCCCCCCCCCCCCC)CCCCCCC

Name:

HEXADECYL OCTANOATE

ZINC:

ZINC000014880345

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).