SEQ2FUN

BioLiP

PDB CCD ID: SOT
Number of entries in BioLiP: 3
Chemical formula: C4 H9 N O4 S
InChI: InChI=1S/C4H9NO4S/c6-10(7,8)5-1-3-9-4-2-5/h1-4H2,(H,6,7,8)
InChIKey: GLGNSAPAWZUDRT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370O[S](=O)(=O)N1CCOCC1
OpenEye OEToolkits 1.7.0C1COCCN1S(=O)(=O)O
ACDLabs 12.01O=S(=O)(O)N1CCOCC1
Name:morpholine-4-sulfonic acid
ZINC: ZINC000003164866
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).