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BioLiP

PDB CCD ID: PQE
Number of entries in BioLiP: 3
Chemical formula: C29 H60 O8
InChI: InChI=1S/C29H60O8/c1-2-3-4-5-6-7-8-9-10-12-16-31-21-24-35-26-28-37-29-27-36-25-22-33-18-14-11-13-17-32-20-23-34-19-15-30/h30H,2-29H2,1H3
InChIKey: GEEFJAPPTAALTR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O(CCCCCOCCOCCO)CCOCCOCCOCCOCCCCCCCCCCCC
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCCCCCCCCCCCOCCOCCOCCOCCOCCCCCOCCOCCO
Name:3,6,12,15,18,21,24-HEPTAOXAHEXATRIACONTAN-1-OL;
ANAPOE-C12E8
ZINC: ZINC000058638364
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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