SEQ2FUN

BioLiP

PDB CCD ID: 32M
Number of entries in BioLiP: 3
Chemical formula: C20 H42 O7
InChI: InChI=1S/C20H42O7/c1-2-3-4-5-6-7-9-22-11-13-24-15-17-26-19-20-27-18-16-25-14-12-23-10-8-21/h21H,2-20H2,1H3
InChIKey: VVSOZSGWKFPDFX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 1.7.6		CCCCCCCCOCCOCCOCCOCCOCCOCCO
ACDLabs 12.01O(CCOCCCCCCCC)CCOCCOCCOCCOCCO
Name:3,6,9,12,15,18-hexaoxahexacosan-1-ol;
HEXAETHYLENE GLYCOL MONOOCTYL ETHER
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).