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BioLiP

PDB CCD ID: E4T
Number of entries in BioLiP: 1
Chemical formula: C7 H14 O4
InChI: InChI=1S/C7H14O4/c1-5-2-6(8,9)4-7(10,11)3-5/h5,8-11H,2-4H2,1H3
InChIKey: KRXGBFOGDIQPEG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC1CC(O)(O)CC(O)(O)C1
OpenEye OEToolkits 2.0.6CC1CC(CC(C1)(O)O)(O)O
Name:5-methylcyclohexane-1,1,3,3-tetrol
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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