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BioLiP

PDB CCD ID: PE7
Number of entries in BioLiP: 8
Chemical formula: C14 H30 O7 S
InChI: InChI=1S/C14H30O7S/c15-1-2-16-3-4-17-5-6-18-7-8-19-9-10-20-11-12-21-13-14-22/h15,22H,1-14H2
InChIKey: ACMBXVJDKVNCGH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O(CCOCCOCCOCCOCCO)CCOCCS
OpenEye OEToolkits 1.5.0C(COCCOCCOCCOCCOCCOCCS)O
CACTVS 3.341OCCOCCOCCOCCOCCOCCOCCS
Name:1-DEOXY-1-THIO-HEPTAETHYLENE GLYCOL
DrugBank: DB02404
ZINC: ZINC000005828797
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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