SEQ2FUN

BioLiP

PDB CCD ID: HDS
Number of entries in BioLiP: 10
Chemical formula: C16 H34 O3 S
InChI: InChI=1S/C16H34O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(17,18)19/h2-16H2,1H3,(H,17,18,19)
InChIKey: SSILHZFTFWOUJR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCCCCCS(=O)(=O)O
CACTVS 3.341CCCCCCCCCCCCCCCC[S](O)(=O)=O
ACDLabs 10.04O=S(=O)(O)CCCCCCCCCCCCCCCC
Name:1-HEXADECANOSULFONIC ACID
ChEMBL: CHEMBL1208309
DrugBank: DB02776
ZINC: ZINC000006845885
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).