SEQ2FUN

BioLiP

PDB CCD ID: 54O
Number of entries in BioLiP: 1
Chemical formula: C3 H8 O4 S
InChI: InChI=1S/C3H8O4S/c4-2-1-3-8(5,6)7/h4H,1-3H2,(H,5,6,7)
InChIKey: WQPMYSHJKXVTME-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01C(CS(=O)(O)=O)CO
OpenEye OEToolkits 1.9.2C(CO)CS(=O)(=O)O
CACTVS 3.385OCCC[S](O)(=O)=O
Name:3-hydroxypropane-1-sulfonic acid
ChEMBL: CHEMBL1207163
ZINC: ZINC000001736719
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).