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BioLiP

PDB CCD ID: UM9
Number of entries in BioLiP: 1
Chemical formula: C14 H25 N O7
InChI: InChI=1S/C14H25NO7/c1-7(17)14(3,4)6-21-13-10(15-8(2)18)12(20)11(19)9(5-16)22-13/h9-13,16,19-20H,5-6H2,1-4H3,(H,15,18)/t9-,10-,11-,12-,13-/m1/s1
InChIKey: UAKFZHMRCJMULU-SYLRKERUSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1OCC(C)(C)C(C)=O
OpenEye OEToolkits 2.0.7CC(=O)C(C)(C)COC1C(C(C(C(O1)CO)O)O)NC(=O)C
OpenEye OEToolkits 2.0.7CC(=O)C(C)(C)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C
CACTVS 3.385CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1OCC(C)(C)C(C)=O
ACDLabs 12.01CC(=O)C(C)(C)COC1OC(CO)C(O)C(O)C1NC(C)=O
Name:2,2-dimethyl-3-oxobutyl 2-acetamido-2-deoxy-beta-D-glucopyranoside
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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