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BioLiP Library

PDB CCD ID: OX1
Number of entries in BioLiP: 2
Chemical formula: C18 H16 O4
InChI: InChI=1S/C18H16O4/c1-17-12-6-2-4-8-14(12)18(22-21-17,11-10-16(19)20)15-9-5-3-7-13(15)17/h2-9H,10-11H2,1H3,(H,19,20)/t17-,18+
InChIKey: IOWYALZFEJOVHO-HDICACEKSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC12c3ccccc3C(c4c1cccc4)(OO2)CCC(=O)O
CACTVS 3.341C[C]12OO[C](CCC(O)=O)(c3ccccc13)c4ccccc24
CACTVS 3.341C[C@@]12OO[C@@](CCC(O)=O)(c3ccccc13)c4ccccc24
ACDLabs 10.04O=C(O)CCC24OOC(c1ccccc12)(c3c4cccc3)C
Name:[2'-CARBOXYLETHYL]-10-METHYL-ANTHRACENE ENDOPEROXIDE
DrugBank: DB08332
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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