SEQ2FUN

BioLiP

PDB CCD ID: V5B
Number of entries in BioLiP: 1
Chemical formula: C H4 O4 S
InChI: InChI=1S/CH4O4S/c1-5-6(2,3)4/h1H3,(H,2,3,4)
InChIKey: JZMJDSHXVKJFKW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7COS(=O)(=O)O
CACTVS 3.385CO[S](O)(=O)=O
Name:methyl sulfate
ChEMBL: CHEMBL3219364
ZINC: ZINC000008383216
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).