SEQ2FUN

BioLiP

PDB CCD ID: M2M
Number of entries in BioLiP: 0
Chemical formula: C6 H14 O3
InChI: InChI=1S/C6H14O3/c1-7-3-5-9-6-4-8-2/h3-6H2,1-2H3
InChIKey: SBZXBUIDTXKZTM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		COCCOCCOC
ACDLabs 10.04O(C)CCOCCOC
Name:1-METHOXY-2-(2-METHOXYETHOXY)ETHANE
ChEMBL: CHEMBL1234162
DrugBank: DB02935
ZINC: ZINC000001689760
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).