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BioLiP

PDB CCD ID: QTQ
Number of entries in BioLiP: 2
Chemical formula: C4 H8 O4 S
InChI: InChI=1S/C4H8O4S/c5-3-1-9(7,8)2-4(3)6/h3-6H,1-2H2/t3-,4-/m0/s1
InChIKey: LDVDYVUZEKIBDP-IMJSIDKUSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O[C@H]1C[S](=O)(=O)C[C@@H]1O
OpenEye OEToolkits 2.0.7C1[C@@H]([C@H](CS1(=O)=O)O)O
CACTVS 3.385O[CH]1C[S](=O)(=O)C[CH]1O
OpenEye OEToolkits 2.0.7C1C(C(CS1(=O)=O)O)O
Name:(3~{R},4~{R})-1,1-bis(oxidanylidene)thiolane-3,4-diol
ZINC: ZINC000001083909
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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