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BioLiP

PDB CCD ID: P4G
Number of entries in BioLiP: 0
Chemical formula: C8 H18 O3
InChI: InChI=1S/C8H18O3/c1-3-9-5-7-11-8-6-10-4-2/h3-8H2,1-2H3
InChIKey: RRQYJINTUHWNHW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O(CCOCCOCC)CC
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCOCCOCCOCC
Name:1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE
ChEMBL: CHEMBL1235106
DrugBank: DB08357
ZINC: ZINC000002041052
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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