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BioLiP

PDB CCD ID: SSB
Number of entries in BioLiP: 12
Chemical formula: C8 H16 O S
InChI: InChI=1S/C8H16OS/c1-2-3-4-8-5-6-10(9)7-8/h8H,2-7H2,1H3/t8-,10-/m0/s1
InChIKey: QVVQIIIFHZDBDL-WPRPVWTQSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 1.7.5		CCCC[C@H]1CC[S@](=O)C1
OpenEye OEToolkits 1.7.5CCCCC1CCS(=O)C1
CACTVS 3.385CCCC[CH]1CC[S](=O)C1
ACDLabs 10.04O=S1CCC(CCCC)C1
Name:3-BUTYLTHIOLANE 1-OXIDE
DrugBank: DB02871
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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