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BioLiP

PDB CCD ID: DT6
Number of entries in BioLiP: 19
Chemical formula: C10 H18 N2 O6
InChI: InChI=1S/C10H18N2O6/c1-4(14)11-7-6(3-13)18-10(17)8(9(7)16)12-5(2)15/h6-10,13,16-17H,3H2,1-2H3,(H,11,14)(H,12,15)/t6-,7-,8-,9+,10-/m1/s1
InChIKey: VNVBLPSANNIIQI-GRDBIXFFSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CC(=O)N[C@@H]1[C@H](O[C@H]([C@@H]([C@H]1O)NC(=O)C)O)CO
CACTVS 3.370CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](NC(C)=O)[C@@H]1O
OpenEye OEToolkits 1.7.6CC(=O)NC1C(OC(C(C1O)NC(=O)C)O)CO
CACTVS 3.370CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](NC(C)=O)[CH]1O
ACDLabs 12.01O=C(NC1C(OC(O)C(NC(=O)C)C1O)CO)C
Name:2,4-bisacetamido-2,4-dideoxy-beta-D-glucopyranose;
2,4-bis(acetylamino)-2,4-dideoxy-beta-D-glucopyranose;
2,4-bisacetamido-2,4-dideoxy-beta-D-glucose;
2,4-bisacetamido-2,4-dideoxy-D-glucose;
2,4-bisacetamido-2,4-dideoxy-glucose
ZINC: ZINC000038792235
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)(download the PDF file).
  • 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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