SEQ2FUN

BioLiP

PDB CCD ID: N8E
Number of entries in BioLiP: 0
Chemical formula: C18 H38 O6
InChI: InChI=1S/C18H38O6/c1-2-3-4-5-6-7-9-20-11-13-22-15-17-24-18-16-23-14-12-21-10-8-19/h19H,2-18H2,1H3
InChIKey: MJELOWOAIAAUJT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCCCCCCCOCCOCCOCCOCCOCCO
ACDLabs 10.04O(CCO)CCOCCOCCOCCOCCCCCCCC
Name:3,6,9,12,15-PENTAOXATRICOSAN-1-OL;
N-OCTYLPENTAOXYETHYLENE;
PENTAETHYLENE GLYCOL MONOOCTYL ETHER;
OCTYLPENTAGLYCOL N-OCTYLPENTAOXYETHYLENE
DrugBank: DB08249
ZINC: ZINC000016051619
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).