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BioLiP

PDB CCD ID: SG4
Number of entries in BioLiP: 1
Chemical formula: C10 H17 N O10 S
InChI: InChI=1S/C10H17NO10S/c1-4(12)19-8-6(3-18-22(11,16)17)21-10(15)7(14)9(8)20-5(2)13/h6-10,14-15H,3H2,1-2H3,(H2,11,16,17)/t6-,7-,8-,9-,10+/m1/s1
InChIKey: XQYNJXXCRGRITM-IGORNWKESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.2CC(=O)OC1C(OC(C(C1OC(=O)C)O)O)COS(=O)(=O)N
OpenEye OEToolkits 1.7.2CC(=O)O[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1OC(=O)C)O)O)COS(=O)(=O)N
CACTVS 3.370CC(=O)O[CH]1[CH](O)[CH](O)O[CH](CO[S](N)(=O)=O)[CH]1OC(C)=O
CACTVS 3.370CC(=O)O[C@@H]1[C@@H](O)[C@@H](O)O[C@H](CO[S](N)(=O)=O)[C@H]1OC(C)=O
ACDLabs 12.01O=S(=O)(OCC1OC(O)C(O)C(OC(=O)C)C1OC(=O)C)N
Name:3,4-di-O-acetyl-6-O-sulfamoyl-alpha-D-glucopyranose;
3,4-di-O-acetyl-6-O-sulfamoyl-alpha-D-glucose;
3,4-di-O-acetyl-6-O-sulfamoyl-D-glucose;
3,4-di-O-acetyl-6-O-sulfamoyl-glucose
ZINC: ZINC000098209400
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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