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BioLiP

PDB CCD ID: GNX
Number of entries in BioLiP: 2
Chemical formula: C6 H13 N O11 S2
InChI: InChI=1S/C6H13NO11S2/c8-1-2-4(9)5(18-20(14,15)16)3(6(10)17-2)7-19(11,12)13/h2-10H,1H2,(H,11,12,13)(H,14,15,16)/t2-,3-,4-,5-,6+/m1/s1
InChIKey: AJBMJMMLWNUEAC-UKFBFLRUSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=S(=O)(O)OC1C(O)C(OC(O)C1NS(=O)(=O)O)CO
OpenEye OEToolkits 1.7.2C(C1C(C(C(C(O1)O)NS(=O)(=O)O)OS(=O)(=O)O)O)O
OpenEye OEToolkits 1.7.2C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)NS(=O)(=O)O)OS(=O)(=O)O)O)O
CACTVS 3.370OC[CH]1O[CH](O)[CH](N[S](O)(=O)=O)[CH](O[S](O)(=O)=O)[CH]1O
CACTVS 3.370OC[C@H]1O[C@H](O)[C@H](N[S](O)(=O)=O)[C@@H](O[S](O)(=O)=O)[C@@H]1O
Name:2-deoxy-3-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose;
2-deoxy-3-O-sulfo-2-(sulfoamino)-alpha-D-glucose;
2-deoxy-3-O-sulfo-2-(sulfoamino)-D-glucose;
2-deoxy-3-O-sulfo-2-(sulfoamino)-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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