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BioLiP

PDB CCD ID: 3MT
Number of entries in BioLiP: 1
Chemical formula: C4 H6 N S
InChI: InChI=1S/C4H6NS/c1-5-2-3-6-4-5/h2-4H,1H3/q+1
InChIKey: PIDRHKDECUFWTG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04s1cc[n+](c1)C
OpenEye OEToolkits 1.5.0C[n+]1ccsc1
CACTVS 3.341C[n+]1cscc1
Name:3-METHYLTHIAZOLIUM ION
ChEMBL: CHEMBL1230156
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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