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BioLiP

PDB CCD ID: GQ1
Number of entries in BioLiP: 5
Chemical formula: C6 H12 O9 S
InChI: InChI=1S/C6H12O9S/c7-1-2-5(15-16(11,12)13)3(8)4(9)6(10)14-2/h2-10H,1H2,(H,11,12,13)/t2-,3-,4-,5-,6+/m1/s1
InChIKey: LOTQRUGOUKUSEY-UKFBFLRUSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(C1C(C(C(C(O1)O)O)O)OS(=O)(=O)O)O
CACTVS 3.385OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O[S](O)(=O)=O
ACDLabs 12.01O=S(=O)(O)OC1C(OC(O)C(O)C1O)CO
OpenEye OEToolkits 1.7.6C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)OS(=O)(=O)O)O
CACTVS 3.385OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O[S](O)(=O)=O
Name:4-O-sulfo-alpha-D-glucopyranose;
4-O-sulfo-alpha-D-glucose;
4-O-sulfo-D-glucose;
4-O-sulfo-glucose
ZINC: ZINC000135965335
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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