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BioLiP

PDB CCD ID: LNI
Number of entries in BioLiP: 4
Chemical formula: C5 H11 O3 S
InChI: InChI=1S/C5H10O3S/c1-9(2,8)4-3-5(6)7/h3-4H2,1-2H3/p+1
InChIKey: LEKODCUQHSSNES-UHFFFAOYSA-O
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C[S+](=O)(C)CCC(=O)O
CACTVS 3.385C[S+](C)(=O)CCC(O)=O
Name:3-[dimethyl(oxidanyl)-$l^{4}-sulfanyl]propanoic acid;
Dimethylsulfoxonium propionate
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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