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BioLiP

PDB CCD ID: P33
Number of entries in BioLiP: 2
Chemical formula: C14 H30 O8
InChI: InChI=1S/C14H30O8/c15-1-3-17-5-7-19-9-11-21-13-14-22-12-10-20-8-6-18-4-2-16/h15-16H,1-14H2
InChIKey: XPJRQAIZZQMSCM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341OCCOCCOCCOCCOCCOCCOCCO
ACDLabs 10.04O(CCOCCO)CCOCCOCCOCCOCCO
OpenEye OEToolkits 1.5.0C(COCCOCCOCCOCCOCCOCCO)O
Name:3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL;
HEPTAETHYLENE GLYCOL;
PEG330
DrugBank: DB03394
ZINC: ZINC000005178829
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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