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BioLiP

PDB CCD ID: TSM
Number of entries in BioLiP: 0
Chemical formula: C4 H10 O3 S
InChI: InChI=1S/C4H10O3S/c1-4(2,3)8(5,6)7/h1-3H3,(H,5,6,7)
InChIKey: XCJGLBWDZKLQCY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=S(=O)(O)C(C)(C)C
CACTVS 3.370CC(C)(C)[S](O)(=O)=O
OpenEye OEToolkits 1.7.0CC(C)(C)S(=O)(=O)O
Name:2-methylpropane-2-sulfonic acid
ZINC: ZINC000001602578
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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