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BioLiP

PDB CCD ID: 1DB
Number of entries in BioLiP: 1
Chemical formula: C10 H22 O3 S
InChI: InChI=1S/C10H22O3S/c1-2-3-4-5-6-7-8-9-10-14(11,12)13/h2-10H2,1H3,(H,11,12,13)
InChIKey: KVGOXGQSTGQXDD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCCCCCCCCCS(=O)(=O)O
ACDLabs 10.04O=S(=O)(O)CCCCCCCCCC
CACTVS 3.341CCCCCCCCCC[S](O)(=O)=O
Name:1-DECANE-SULFONIC-ACID;
DECANE-1-SULFONIC ACID
ChEMBL: CHEMBL1208302
DrugBank: DB06893
ZINC: ZINC000001843748
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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