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BioLiP

PDB CCD ID: WU3
Number of entries in BioLiP: 2
Chemical formula: C15 H30 O2 S
InChI: InChI=1S/C15H30O2S/c1-3-4-5-6-7-8-9-10-11-12-13-18-14(2)15(16)17/h14H,3-13H2,1-2H3,(H,16,17)/t14-/m0/s1
InChIKey: YXNWKYMLMYBZSA-AWEZNQCLSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCCCCCCCCCCSC(C)C(=O)O
CACTVS 3.385CCCCCCCCCCCCS[C@@H](C)C(O)=O
CACTVS 3.385CCCCCCCCCCCCS[CH](C)C(O)=O
OpenEye OEToolkits 2.0.7CCCCCCCCCCCCS[C@@H](C)C(=O)O
Name:(2S)-2-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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