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BioLiP

PDB CCD ID: A1H38
Number of entries in BioLiP: 8
Chemical formula: C6 H11 N O3
InChI: InChI=1S/C6H11NO3/c8-4-1-7-3-2-10-6(4)5(3)9/h3-9H,1-2H2
InChIKey: WVZIAVGWQFETLH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O[C@@H]1CN[C@@H]2CO[C@@H]1[C@H]2O
CACTVS 3.385O[CH]1CN[CH]2CO[CH]1[CH]2O
OpenEye OEToolkits 2.0.7C1C(C2C(C(N1)CO2)O)O
OpenEye OEToolkits 2.0.7C1[C@@H]([C@@H]2[C@H]([C@H](N1)CO2)O)O
Name:(1~{R},4~{S},5~{R},8~{S})-6-oxa-2-azabicyclo[3.2.1]octane-4,8-diol;
AD-DGJ;
3,6-anhydro-D-1-deoxygalactonojirimycin
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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