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BioLiP Library

PDB CCD ID: A1H36
Number of entries in BioLiP: 7
Chemical formula: C6 H11 N O2
InChI: InChI=1S/C6H11NO2/c8-6-4-1-7-2-5(6)9-3-4/h4-8H,1-3H2/t4-,5-,6+/m1/s1
InChIKey: TWEISKJFQUHRBG-PBXRRBTRSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C1[C@@H]2CO[C@@H]([C@H]2O)CN1
OpenEye OEToolkits 2.0.7C1C2COC(C2O)CN1
CACTVS 3.385O[C@H]1[C@@H]2CNC[C@H]1OC2
CACTVS 3.385O[CH]1[CH]2CNC[CH]1OC2
Name:(1~{R},5~{R},8~{S})-6-oxa-3-azabicyclo[3.2.1]octan-8-ol;
ADG-IF (3,6-anhydro-D-galacto-isofagomine)
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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