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BioLiP

PDB CCD ID: UKT
Number of entries in BioLiP: 1
Chemical formula: C7 H14 O5
InChI: InChI=1S/C7H14O5/c8-2-3-4(9)1-5(10)7(12)6(3)11/h3-12H,1-2H2/t3-,4+,5+,6+,7+/m0/s1
InChIKey: RRGKETGQYFXIFR-CQOGJGKDSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC[CH]1[CH](O)C[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 2.0.7C1[C@H]([C@@H]([C@H]([C@@H]([C@@H]1O)O)O)CO)O
OpenEye OEToolkits 2.0.7C1C(C(C(C(C1O)O)O)CO)O
CACTVS 3.385OC[C@H]1[C@H](O)C[C@@H](O)[C@@H](O)[C@@H]1O
Name:(1R,2R,3R,4S,5R)-4-(hydroxymethyl)cyclohexane-1,2,3,5-tetrol;
(1~{R},2~{R},3~{R},4~{S},5~{R})-4-(hydroxymethyl)cyclohexane-1,2,3,5-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)(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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