BioLiP

PDB

BioLiP

PDB CCD ID:

PQE

Number of entries in BioLiP:

Chemical formula:

C29 H60 O8

InChI:

InChI=1S/C29H60O8/c1-2-3-4-5-6-7-8-9-10-12-16-31-21-24-35-26-28-37-29-27-36-25-22-33-18-14-11-13-17-32-20-23-34-19-15-30/h30H,2-29H2,1H3

InChIKey:

GEEFJAPPTAALTR-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O(CCCCCOCCOCCO)CCOCCOCCOCCOCCCCCCCCCCCC
CACTVS 3.341 OpenEye OEToolkits 1.5.0	CCCCCCCCCCCCOCCOCCOCCOCCOCCCCCOCCOCCO

Name:

3,6,12,15,18,21,24-HEPTAOXAHEXATRIACONTAN-1-OL;
ANAPOE-C12E8

ZINC:

ZINC000058638364

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).