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BioLiP

PDB CCD ID: OJ6
Number of entries in BioLiP: 1
Chemical formula: C6 H12 O4
InChI: InChI=1S/C6H12O4/c7-3-1-2-4(8)6(10)5(3)9/h3-10H,1-2H2/t3-,4+,5-,6-/m0/s1
InChIKey: WESBWDZFWNIVRV-FSIIMWSLSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O[C@@H]1CC[C@H](O)[C@H](O)[C@H]1O
OpenEye OEToolkits 2.0.7C1C[C@@H]([C@@H]([C@H]([C@@H]1O)O)O)O
OpenEye OEToolkits 2.0.7C1CC(C(C(C1O)O)O)O
CACTVS 3.385O[CH]1CC[CH](O)[CH](O)[CH]1O
ACDLabs 14.52OC1CCC(O)C(O)C1O
Name:(1~{S},2~{S},3~{S},4~{R})-cyclohexane-1,2,3,4-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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