SEQ2FUN

BioLiP

PDB CCD ID: CXE
Number of entries in BioLiP: 0
Chemical formula: C20 H42 O6
InChI: InChI=1S/C20H42O6/c1-2-3-4-5-6-7-8-9-11-22-13-15-24-17-19-26-20-18-25-16-14-23-12-10-21/h21H,2-20H2,1H3
InChIKey: QAXPOSPGRHYIHE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCCCCCCCCCOCCOCCOCCOCCOCCO
ACDLabs 10.04O(CCO)CCOCCOCCOCCOCCCCCCCCCC
Name:PENTAETHYLENE GLYCOL MONODECYL ETHER
ZINC: ZINC000014880431
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).