SEQ2FUN

BioLiP

PDB CCD ID: CE9
Number of entries in BioLiP: 0
Chemical formula: C30 H62 O10
InChI: InChI=1S/C30H62O10/c1-2-3-4-5-6-7-8-9-10-11-13-32-15-17-34-19-21-36-23-25-38-27-29-40-30-28-39-26-24-37-22-20-35-18-16-33-14-12-31/h31H,2-30H2,1H3
InChIKey: ONJQDTZCDSESIW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
ACDLabs 10.04O(CCOCCOCCO)CCOCCOCCOCCOCCOCCOCCCCCCCCCCCC
Name:DODECYL NONA ETHYLENE GLYCOL ETHER;
POLYDOCANOL;
THESIT
ChEMBL: CHEMBL1231723
DrugBank: DB06811
ZINC: ZINC000008214662
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).