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BioLiP

PDB CCD ID: J6Z
Number of entries in BioLiP: 6
Chemical formula: C4 H9 O3 S
InChI: InChI=1S/C4H10O3S/c1-3-4(2)8(5,6)7/h4H,3H2,1-2H3,(H,5,6,7)/p-1/t4-/m1/s1
InChIKey: BRXCDHOLJPJLLT-SCSAIBSYSA-M
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0CC[C@@H](C)S(=O)(=O)[O-]
CACTVS 3.352CC[C@@H](C)[S]([O-])(=O)=O
OpenEye OEToolkits 1.7.0CCC(C)S(=O)(=O)[O-]
ACDLabs 11.02[O-]S(=O)(=O)C(C)CC
CACTVS 3.352CC[CH](C)[S]([O-])(=O)=O
Name:(2R)-butane-2-sulfonate
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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