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BioLiP

PDB CCD ID: PG5
Number of entries in BioLiP: 0
Chemical formula: C8 H18 O4
InChI: InChI=1S/C8H18O4/c1-9-3-5-11-7-8-12-6-4-10-2/h3-8H2,1-2H3
InChIKey: YFNKIDBQEZZDLK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O(C)CCOCCOCCOC
CACTVS 3.341
OpenEye OEToolkits 1.5.0		COCCOCCOCCOC
Name:1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE
ChEMBL: CHEMBL1235255
DrugBank: DB02078
ZINC: ZINC000001693863
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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