SEQ2FUN

BioLiP

PDB CCD ID: ME2
Number of entries in BioLiP: 0
Chemical formula: C7 H16 O3
InChI: InChI=1S/C7H16O3/c1-3-9-6-7-10-5-4-8-2/h3-7H2,1-2H3
InChIKey: CNJRPYFBORAQAU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O(CCOCCOCC)C
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCOCCOCCOC
Name:1-ETHOXY-2-(2-METHOXYETHOXY)ETHANE
DrugBank: DB03508
ZINC: ZINC000002040081
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).