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BioLiP

PDB CCD ID: DSS
Number of entries in BioLiP: 2
Chemical formula: C3 H8 O S2
InChI: InChI=1S/C3H8OS2/c1-5-3-6(2)4/h3H2,1-2H3/t6-/m0/s1
InChIKey: OTKFCIVOVKCFHR-LURJTMIESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.5CSCS(=O)C
(S)-sulfoxide
CACTVS 3.385CSC[S@](C)=O
OpenEye OEToolkits 1.7.5CSC[S@@](=O)C
CACTVS 3.385CSC[S](C)=O
Name:METHYL METHYLSULFINYLMETHYL SULFIDE
DrugBank: DB02311
ZINC: ZINC000001731100
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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