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BioLiP

PDB CCD ID: WWK
Number of entries in BioLiP: 1
Chemical formula: C15 H30 O2 S
InChI: InChI=1S/C15H30O2S/c1-2-3-4-5-6-7-8-9-10-11-13-18-14-12-15(16)17/h2-14H2,1H3,(H,16,17)
InChIKey: VKLOPQHLJNFYKK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCCCCCCCCCCCSCCC(O)=O
OpenEye OEToolkits 2.0.7CCCCCCCCCCCCSCCC(=O)O
Name:3-dodecylsulfanylpropanoic acid
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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