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BioLiP Library

PDB CCD ID: OOH
Number of entries in BioLiP: 1
Chemical formula: C15 H14 O7
InChI: InChI=1S/C15H14O7/c1-2-3-4-6(16)10-13(20)9-7(17)5-8(18)12(19)11(9)15(22)14(10)21/h5,17-19,21H,2-4H2,1H3
InChIKey: GSEGHWAXDYOZNU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCCC(=O)C1=C(C(=O)c2c(c(cc(c2O)O)O)C1=O)O
CACTVS 3.385CCCCC(=O)C1=C(O)C(=O)c2c(O)c(O)cc(O)c2C1=O
Name:3,5,6,8-tetrakis(oxidanyl)-2-pentanoyl-naphthalene-1,4-dione
ChEMBL: CHEMBL4779818
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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