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BioLiP

PDB CCD ID: PGE
Number of entries in BioLiP: 3
Chemical formula: C6 H14 O4
InChI: InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2
InChIKey: ZIBGPFATKBEMQZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(COCCOCCO)O
ACDLabs 10.04
CACTVS 3.341		OCCOCCOCCO
Name:TRIETHYLENE GLYCOL
ChEMBL: CHEMBL1235259
DrugBank: DB02327
ZINC: ZINC000001690436
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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