SEQ2FUN

BioLiP

PDB CCD ID: Y69
Number of entries in BioLiP: 2
Chemical formula: C17 H34 O4
InChI: InChI=1S/C17H34O4/c1-2-19-14-15-21-17-16-20-13-11-9-7-5-3-4-6-8-10-12-18/h12H,2-11,13-17H2,1H3
InChIKey: FUVMRIQNBOWRMW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 1.9.2		CCOCCOCCOCCCCCCCCCCC=O
ACDLabs 12.01O=CCCCCCCCCCCOCCOCCOCC
Name:11-[2-(2-ethoxyethoxy)ethoxy]undecanal
ZINC: ZINC000215991936
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).