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BioLiP

PDB CCD ID: YZT
Number of entries in BioLiP: 15
Chemical formula: C6 H12 O8 S
InChI: InChI=1S/C6H12O8S/c7-3-2(1-15(11,12)13)14-6(10)5(9)4(3)8/h2-10H,1H2,(H,11,12,13)/t2-,3-,4+,5-,6-/m1/s1
InChIKey: QFBWOLBPVQLZEH-VFUOTHLCSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)S(=O)(=O)O
OpenEye OEToolkits 1.7.6C(C1C(C(C(C(O1)O)O)O)O)S(=O)(=O)O
ACDLabs 12.01O=S(=O)(O)CC1OC(O)C(O)C(O)C1O
CACTVS 3.370O[CH]1O[CH](C[S](O)(=O)=O)[CH](O)[CH](O)[CH]1O
CACTVS 3.370O[C@@H]1O[C@H](C[S](O)(=O)=O)[C@@H](O)[C@H](O)[C@H]1O
Name:6-deoxy-6-sulfo-beta-D-glucopyranose
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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