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BioLiP Library

PDB CCD ID: 226
Number of entries in BioLiP: 4
Chemical formula: C10 H8 O5
InChI: InChI=1S/C10H8O5/c11-4-1-5-9(6(12)2-4)7(13)3-8(14)10(5)15/h1-3,11-15H
InChIKey: IISYZEMBGRNYTH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04Oc2c1c(O)cc(O)cc1c(O)c(O)c2
OpenEye OEToolkits 1.5.0c1c(cc(c2c1c(c(cc2O)O)O)O)O
CACTVS 3.341Oc1cc(O)c2c(O)cc(O)c(O)c2c1
Name:naphthalene-1,2,4,5,7-pentol
DrugBank: DB06915
ZINC: ZINC000006524423
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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