SEQ2FUN

BioLiP

PDB CCD ID: CE1
Number of entries in BioLiP: 0
Chemical formula: C28 H58 O9
InChI: InChI=1S/C28H58O9/c1-2-3-4-5-6-7-8-9-10-11-13-30-15-17-32-19-21-34-23-25-36-27-28-37-26-24-35-22-20-33-18-16-31-14-12-29/h29H,2-28H2,1H3
InChIKey: YYELLDKEOUKVIQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O(CCOCCOCCCCCCCCCCCC)CCOCCOCCOCCOCCOCCO
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCO
Name:O-DODECANYL OCTAETHYLENE GLYCOL;
THESIT
ChEMBL: CHEMBL501722
ZINC: ZINC000042805225
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).