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BioLiP

PDB CCD ID: Z9E
Number of entries in BioLiP: 1
Chemical formula: C6 H12 O5 S
InChI: InChI=1S/C6H12O5S/c7-1-2-3(8)4(9)5(10)6(12)11-2/h2-10,12H,1H2/t2-,3-,4+,5-,6-/m1/s1
InChIKey: JUSMHIGDXPKSID-VFUOTHLCSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370OC[C@H]1O[C@H](S)[C@H](O)[C@@H](O)[C@@H]1O
ACDLabs 12.01OC1C(O)C(OC(S)C1O)CO
OpenEye OEToolkits 1.7.6C(C1C(C(C(C(O1)S)O)O)O)O
OpenEye OEToolkits 1.7.6C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)S)O)O)O)O
CACTVS 3.370OC[CH]1O[CH](S)[CH](O)[CH](O)[CH]1O
Name:1-thio-alpha-D-glucopyranose
ZINC: ZINC000013545755
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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