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BioLiP

PDB CCD ID: BBV
Number of entries in BioLiP: 3
Chemical formula: C15 H21 N O6
InChI: InChI=1S/C15H21NO6/c1-9(18)16-12-14(20)13(19)11(7-17)22-15(12)21-8-10-5-3-2-4-6-10/h2-6,11-15,17,19-20H,7-8H2,1H3,(H,16,18)/t11-,12-,13-,14-,15+/m1/s1
InChIKey: SKOZFDIGKDPQBO-RYPNDVFKSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1OCc2ccccc2
ACDLabs 12.01O=C(NC2C(O)C(O)C(OC2OCc1ccccc1)CO)C
OpenEye OEToolkits 1.7.6CC(=O)NC1C(C(C(OC1OCc2ccccc2)CO)O)O
OpenEye OEToolkits 1.7.6CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OCc2ccccc2)CO)O)O
CACTVS 3.370CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OCc2ccccc2
Name:benzyl 2-acetamido-2-deoxy-alpha-D-glucopyranoside;
benzyl 2-(acetylamino)-2-deoxy-alpha-D-glucopyranoside;
benzyl 2-acetamido-2-deoxy-alpha-D-glucoside;
benzyl 2-acetamido-2-deoxy-D-glucoside;
benzyl 2-acetamido-2-deoxy-glucoside
ChEMBL: CHEMBL217900
ZINC: ZINC000003956715
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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