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BioLiP Library

PDB CCD ID: MA2
Number of entries in BioLiP: 1
Chemical formula: C7 H14 O5 S
InChI: InChI=1S/C7H14O5S/c1-13-6-3(2-8)12-7(11)5(10)4(6)9/h3-11H,2H2,1H3/t3-,4-,5-,6-,7+/m1/s1
InChIKey: UYUQSQYXZFSOEM-GKHCUFPYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CS[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1O)O)O)CO
CACTVS 3.341CS[C@@H]1[C@@H](CO)O[C@H](O)[C@H](O)[C@H]1O
CACTVS 3.341CS[CH]1[CH](CO)O[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0CSC1C(OC(C(C1O)O)O)CO
ACDLabs 10.04OC1C(SC)C(OC(O)C1O)CO
Name:4-S-methyl-4-thio-alpha-D-glucopyranose;
4-S-methyl-4-thio-alpha-D-glucose;
4-S-methyl-4-thio-D-glucose;
4-S-methyl-4-thio-glucose
DrugBank: DB02730
ZINC: ZINC000033821389
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)(download the PDF file).
  • 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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