SEQ2FUN

BioLiP

PDB CCD ID: T4T
Number of entries in BioLiP: 2
Chemical formula: C16 H32 O2 S
InChI: InChI=1S/C16H32O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-15-16(17)18/h2-15H2,1H3,(H,17,18)
InChIKey: IPBCWPPBAWQYOO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCCCCCCCCCCCCCSCC(O)=O
OpenEye OEToolkits 2.0.6CCCCCCCCCCCCCCSCC(=O)O
Name:2-tetradecylsulfanylethanoic acid
ChEMBL: CHEMBL187734
ZINC: ZINC000008035065
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).