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BioLiP

PDB CCD ID: YGX
Number of entries in BioLiP: 10
Chemical formula: C7 H14 O6
InChI: InChI=1S/C7H14O6/c8-1-2-3(9)5(11)7(13)6(12)4(2)10/h2-13H,1H2/t2-,3+,4-,5-,6-,7-/m0/s1
InChIKey: QFYQIWDMMSKNFF-OUIVRQFQSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C(C1C(C(C(C(C1O)O)O)O)O)O
CACTVS 3.385OC[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 2.0.7C(C1[C@@H]([C@@H](C([C@H]([C@@H]1O)O)O)O)O)O
CACTVS 3.385OC[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
Name:(1~{S},2~{S},4~{S},5~{R})-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol
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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