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BioLiP

PDB CCD ID: DSC
Number of entries in BioLiP: 2
Chemical formula: C12 H25 O3 S
InChI: InChI=1S/C12H26O3S/c1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15/h2-12H2,1H3,(H,13,14,15)/p-1
InChIKey: LDMOEFOXLIZJOW-UHFFFAOYSA-M
SMILES:
SoftwareSMILES
ACDLabs 10.04O=S(=O)([O-])CCCCCCCCCCCC
CACTVS 3.341CCCCCCCCCCCC[S]([O-])(=O)=O
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCS(=O)(=O)[O-]
Name:DODECANESULFONATE ION
DrugBank: DB07681
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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