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BioLiP

PDB CCD ID: GHO
Number of entries in BioLiP: 7
Chemical formula: C2 H6 O4 S
InChI: InChI=1S/C2H6O4S/c1-2(3)7(4,5)6/h2-3H,1H3,(H,4,5,6)/t2-/m1/s1
InChIKey: WLXGQMVCYPUOLM-UWTATZPHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C[C@H](O)S(=O)(=O)O
CACTVS 3.385C[C@H](O)[S](O)(=O)=O
ACDLabs 12.01
OpenEye OEToolkits 2.0.7		CC(O)S(=O)(=O)O
CACTVS 3.385C[CH](O)[S](O)(=O)=O
Name:(1R)-1-hydroxyethane-1-sulfonic acid
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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