SEQ2FUN

BioLiP

PDB CCD ID: 7PG
Number of entries in BioLiP: 0
Chemical formula: C17 H36 O9
InChI: InChI=1S/C17H36O9/c1-19-4-5-21-8-9-23-12-13-25-16-17-26-15-14-24-11-10-22-7-6-20-3-2-18/h18H,2-17H2,1H3
InChIKey: SZGNWRSFHADOMY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O(CCOCCOC)CCOCCOCCOCCOCCOCCO
CACTVS 3.341
OpenEye OEToolkits 1.5.0		COCCOCCOCCOCCOCCOCCOCCOCCO
Name:2,5,8,11,14,17,20,23-OCTAOXAPENTACOSAN-25-OL
ZINC: ZINC000016052257
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).