SEQ2FUN

BioLiP

PDB CCD ID: PG6
Number of entries in BioLiP: 0
Chemical formula: C12 H26 O6
InChI: InChI=1S/C12H26O6/c1-13-3-5-15-7-9-17-11-12-18-10-8-16-6-4-14-2/h3-12H2,1-2H3
InChIKey: DMDPGPKXQDIQQG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O(CCOC)CCOCCOCCOCCOC
CACTVS 3.341
OpenEye OEToolkits 1.5.0		COCCOCCOCCOCCOCCOC
Name:1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE
DrugBank: DB02580
ZINC: ZINC000004530388
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).