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BioLiP

PDB CCD ID: TWY
Number of entries in BioLiP: 11
Chemical formula: C5 H10 O4 S
InChI: InChI=1S/C5H10O4S/c6-3-2(10)1-9-5(8)4(3)7/h2-8,10H,1H2/t2-,3+,4-,5-/m1/s1
InChIKey: MFDZOCXKSSGEBR-KKQCNMDGSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O[C@@H]1OC[C@@H](S)[C@H](O)[C@H]1O
OpenEye OEToolkits 2.0.7C1C(C(C(C(O1)O)O)O)S
OpenEye OEToolkits 2.0.7C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)S
CACTVS 3.385O[CH]1OC[CH](S)[CH](O)[CH]1O
ACDLabs 12.01SC1C(C(C(OC1)O)O)O
Name:4-thio-beta-D-xylopyranose
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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