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BioLiP

PDB CCD ID: OP2
Number of entries in BioLiP: 1
Chemical formula: C12 H24 O8
InChI: InChI=1S/C12H24O8/c13-1-2-16-3-4-17-5-6-18-7-8-19-9-10-20-11-12(14)15/h13H,1-11H2,(H,14,15)
InChIKey: SXGGZTBEWZFLBZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2C(COCCOCCOCCOCCOCC(=O)O)O
CACTVS 3.385OCCOCCOCCOCCOCCOCC(O)=O
ACDLabs 12.01O=C(O)COCCOCCOCCOCCOCCO
Name:2-[2-[2-[2-[2-(2-hydroxyethyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanoic acid
ZINC: ZINC000095920522
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)(download the PDF file).
  • 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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