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BioLiP

PDB CCD ID: GU5
Number of entries in BioLiP: 2
Chemical formula: C8 H15 O9 S
InChI: InChI=1S/C8H16O9S/c1-14-6-5(9)4(3-16-18(11,12)13)17-8(10)7(6)15-2/h4-10H,3H2,1-2H3,(H,11,12,13)/p-1/t4-,5?,6+,7-,8+/m1/s1
InChIKey: SYRNRUURZIIPLL-IINKRSELSA-M
SMILES:
SoftwareSMILES
CACTVS 3.341CO[CH]1[CH](O)O[CH](CO[S]([O-])(=O)=O)[CH](O)[CH]1OC
OpenEye OEToolkits 1.5.0CO[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1OC)O)COS(=O)(=O)[O-])O
ACDLabs 10.04[O-]S(=O)(=O)OCC1OC(O)C(OC)C(OC)C1O
OpenEye OEToolkits 1.5.0COC1C(C(OC(C1OC)O)COS(=O)(=O)[O-])O
CACTVS 3.341CO[C@H]1[C@@H](O)O[C@H](CO[S]([O-])(=O)=O)[C@@H](O)[C@@H]1OC
Name:2,3-di-O-methyl-6-O-sulfonato-alpha-D-glucopyranose;
2,3-di-O-methyl-6-O-sulfonato-alpha-D-glucose;
2,3-di-O-methyl-6-O-sulfonato-D-glucose;
2,3-di-O-methyl-6-O-sulfonato-glucose
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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