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BioLiP

PDB CCD ID: GLT
Number of entries in BioLiP: 2
Chemical formula: C6 H12 O5 S
InChI: InChI=1S/C6H12O5S/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1
InChIKey: KNWYARBAEIMVMZ-DVKNGEFBSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@H]([C@H](S1)O)O)O)O)O
CACTVS 3.341OC[C@H]1S[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(S1)O)O)O)O)O
ACDLabs 10.04OC1C(O)C(SC(O)C1O)CO
CACTVS 3.341OC[CH]1S[CH](O)[CH](O)[CH](O)[CH]1O
Name:5-thio-alpha-D-glucopyranose;
5-DEOXY-5-THIO-ALPHA-D-GLUCOSE;
5-thio-alpha-D-glucose;
5-thio-D-glucose;
5-thio-glucose
ChEMBL: CHEMBL134001
ZINC: ZINC000004134459
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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