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BioLiP

PDB CCD ID: X3T
Number of entries in BioLiP: 1
Chemical formula: C6 H8 O2
InChI: InChI=1S/C6H8O2/c7-6(8)4-2-1-3-5-6/h2-5,7-8H,1H2
InChIKey: PCGBVGIPMKGMRM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C1C=CC(C=C1)(O)O
CACTVS 3.385OC1(O)C=CCC=C1
Name:cyclohexa-2,5-diene-1,1-diol
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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