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BioLiP

PDB CCD ID: 40O
Number of entries in BioLiP: 8
Chemical formula: C6 H12 O2
InChI: InChI=1S/C6H12O2/c7-5-3-1-2-4-6(5)8/h5-8H,1-4H2/t5-,6-/m1/s1
InChIKey: PFURGBBHAOXLIO-PHDIDXHHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2C1CC[C@H]([C@@H](C1)O)O
ACDLabs 12.01OC1CCCCC1O
CACTVS 3.385O[CH]1CCCC[CH]1O
CACTVS 3.385O[C@@H]1CCCC[C@H]1O
OpenEye OEToolkits 1.9.2C1CCC(C(C1)O)O
Name:(1R,2R)-cyclohexane-1,2-diol
ZINC: ZINC000000157937
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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