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BioLiP

PDB CCD ID: 14I
Number of entries in BioLiP: 1
Chemical formula: C16 H8 O6
InChI: InChI=1S/C16H8O6/c17-15(18)12-5-8-10(21-12)3-1-7-2-4-11-9(14(7)8)6-13(22-11)16(19)20/h1-6H,(H,17,18)(H,19,20)
InChIKey: KPCHRAXFURQEBV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1cc2c(cc(o2)C(=O)O)c3c1ccc4c3cc(o4)C(=O)O
ACDLabs 12.01O=C(O)c4oc1c(c3c(cc1)ccc2oc(cc23)C(=O)O)c4
CACTVS 3.370OC(=O)c1oc2ccc3ccc4oc(cc4c3c2c1)C(O)=O
Name:naphtho[2,1-b:7,8-b']difuran-2,9-dicarboxylic acid
ZINC: ZINC000044460278
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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