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BioLiP

PDB CCD ID: SGJ
Number of entries in BioLiP: 1
Chemical formula: C6 H13 N O3 S
InChI: InChI=1S/C6H13NO3S/c8-2-3-6(11)5(10)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1
InChIKey: NSHHSUUKQHDEOL-JGWLITMVSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6C1C(C(C(C(N1)CO)S)O)O
CACTVS 3.385OC[CH]1NC[CH](O)[CH](O)[CH]1S
CACTVS 3.385OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1S
OpenEye OEToolkits 2.0.6C1[C@@H]([C@H]([C@@H]([C@H](N1)CO)S)O)O
Name:1,4-dideoxy-4-thio-nojirimycin
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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