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BioLiP

PDB CCD ID: DIG
Number of entries in BioLiP: 2
Chemical formula: C6 H13 N O4
InChI: InChI=1S/C6H13NO4/c8-1-3-5(10)6(11)4(2-9)7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1
InChIKey: PFYHYHZGDNWFIF-JGWLITMVSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(N1)CO)O)O)O
OpenEye OEToolkits 1.5.0C([C@H]1[C@H]([C@@H]([C@H](N1)CO)O)O)O
CACTVS 3.341OC[C@@H]1N[C@H](CO)[C@@H](O)[C@@H]1O
CACTVS 3.341OC[CH]1N[CH](CO)[CH](O)[CH]1O
ACDLabs 10.04OC1C(NC(CO)C1O)CO
Name:2,5-DIDEOXY-2,5-IMINO-D-GLUCITOL
ChEMBL: CHEMBL259905
ZINC: ZINC000003870709
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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