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BioLiP

PDB CCD ID: MMQ
Number of entries in BioLiP: 2
Chemical formula: C H3 O3 P S
InChI: InChI=1S/CH5O3PS/c2-5(3,4)1-6/h6H,1H2,(H2,2,3,4)/p-2
InChIKey: MJZCELCYTRONIX-UHFFFAOYSA-L
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(P(=O)([O-])[O-])S
CACTVS 3.341[O-][P]([O-])(=O)CS
ACDLabs 10.04[O-]P([O-])(=O)CS
Name:MERCAPTOMETHYL PHOSPHONATE
DrugBank: DB03498
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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