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BioLiP

PDB CCD ID: MTG
Number of entries in BioLiP: 10
Chemical formula: C3 H5 O2 S
InChI: InChI=1S/C3H6O2S/c1-6-2-3(4)5/h2H2,1H3,(H,4,5)/p-1
InChIKey: HGTBAIVLETUVCG-UHFFFAOYSA-M
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CSCC(=O)[O-]
ACDLabs 10.04[O-]C(=O)CSC
CACTVS 3.341CSCC([O-])=O
Name:[METHYLTHIO]ACETATE
DrugBank: DB03517
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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