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BioLiP

PDB CCD ID: XDN
Number of entries in BioLiP: 3
Chemical formula: C5 H11 N O3
InChI: InChI=1S/C5H11NO3/c7-3-1-6-2-4(8)5(3)9/h3-9H,1-2H2/t3-,4+,5+
InChIKey: RMCNETIHECSPMZ-SCDXWVJYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370O[C@H]1CNC[C@@H](O)[C@@H]1O
ACDLabs 12.01OC1CNCC(O)C1O
CACTVS 3.370O[CH]1CNC[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6C1[C@H](C([C@H](CN1)O)O)O
OpenEye OEToolkits 1.7.6C1C(C(C(CN1)O)O)O
Name:PIPERIDINE-3,4,5-TRIOL;
XYLOSE-DERIVED 1-DEOXY-NOJIRIMYCIN
ChEMBL: CHEMBL110830
ZINC: ZINC000100872034
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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