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BioLiP

PDB CCD ID: UKM
Number of entries in BioLiP: 2
Chemical formula: C4 H10 O4 S
InChI: InChI=1S/C4H10O4S/c1-2-3-4(5)9(6,7)8/h4-5H,2-3H2,1H3,(H,6,7,8)/t4-/m1/s1
InChIKey: KMBRJVMBQNMRDM-SCSAIBSYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCC[C@H](O)[S](O)(=O)=O
CACTVS 3.385CCC[CH](O)[S](O)(=O)=O
OpenEye OEToolkits 2.0.7CCCC(O)S(=O)(=O)O
OpenEye OEToolkits 2.0.7CCC[C@H](O)S(=O)(=O)O
ACDLabs 12.01C(CCC)(O)S(=O)(O)=O
Name:(1R)-1-hydroxybutane-1-sulfonic acid
ZINC: ZINC000006381313
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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