SEQ2FUN

BioLiP

PDB CCD ID: TSE
Number of entries in BioLiP: 0
Chemical formula: C2 H5 O4 P S
InChI: InChI=1S/C2H5O4PS/c3-2(4)1-7(5,6)8/h1H2,(H,3,4)(H2,5,6,8)
InChIKey: KUUMDZYFBMADNM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C(=O)O)P(=S)(O)O
CACTVS 3.341OC(=O)C[P](O)(O)=S
ACDLabs 10.04O=C(O)CP(=S)(O)O
Name:THIOPHOSPHONOACETIC ACID
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).