SEQ2FUN

BioLiP

PDB CCD ID: P15
Number of entries in BioLiP: 0
Chemical formula: C13 H28 O7
InChI: InChI=1S/C13H28O7/c1-15-4-5-17-8-9-19-12-13-20-11-10-18-7-6-16-3-2-14/h14H,2-13H2,1H3
InChIKey: FHHGCKHKTAJLOM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O(CCOC)CCOCCOCCOCCOCCO
CACTVS 3.341
OpenEye OEToolkits 1.5.0		COCCOCCOCCOCCOCCOCCO
Name:2,5,8,11,14,17-HEXAOXANONADECAN-19-OL
ZINC: ZINC000005997860
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).