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BioLiP

PDB CCD ID: 5AX
Number of entries in BioLiP: 0
Chemical formula: C8 H15 N O5
InChI: InChI=1S/C8H15NO5/c1-4(11)9-5-3-14-6(2-10)8(13)7(5)12/h5-8,10,12-13H,2-3H2,1H3,(H,9,11)/t5-,6+,7+,8+/m0/s1
InChIKey: VCYYRDKGHLOTQU-LXGUWJNJSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(=O)N[CH]1CO[CH](CO)[CH](O)[CH]1O
CACTVS 3.385CC(=O)N[C@H]1CO[C@H](CO)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.7.6CC(=O)NC1COC(C(C1O)O)CO
ACDLabs 10.04O=C(NC1C(O)C(O)C(OC1)CO)C
OpenEye OEToolkits 1.7.6CC(=O)N[C@H]1CO[C@@H]([C@H]([C@@H]1O)O)CO
Name:2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-D-GLUCITOL
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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