BioLiP

PDB

BioLiP

PDB CCD ID:

16P

Number of entries in BioLiP:

Chemical formula:

C14 H30 O6

InChI:

InChI=1S/C14H30O6/c1-3-15-5-7-17-9-11-19-13-14-20-12-10-18-8-6-16-4-2/h3-14H2,1-2H3

InChIKey:

IXFAFGFZFQHRLB-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341 OpenEye OEToolkits 1.5.0	CCOCCOCCOCCOCCOCCOCC
ACDLabs 10.04	O(CCOCC)CCOCCOCCOCCOCC

Name:

3,6,9,12,15,18-HEXAOXAICOSANE

DrugBank:

DB06867

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).