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BioLiP

PDB CCD ID: UDT
Number of entries in BioLiP: 2
Chemical formula: C11 H22 O2 S
InChI: InChI=1S/C11H22O2S/c1-2-3-4-5-6-7-8-9-10-13-11(12)14/h2-10H2,1H3,(H,12,14)
InChIKey: RFWUWWWJCLPVPT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CCCCCCCCCCOC(S)=O
OpenEye OEToolkits 1.5.0CCCCCCCCCCOC(=O)S
ACDLabs 10.04O=C(OCCCCCCCCCC)S
Name:O-DECYL HYDROGEN THIOCARBONATE
DrugBank: DB08684
ZINC: ZINC000053683305
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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