SEQ2FUN

BioLiP

PDB CCD ID: CXS
Number of entries in BioLiP: 0
Chemical formula: C9 H19 N O3 S
InChI: InChI=1S/C9H19NO3S/c11-14(12,13)8-4-7-10-9-5-2-1-3-6-9/h9-10H,1-8H2,(H,11,12,13)
InChIKey: PJWWRFATQTVXHA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1CCC(CC1)NCCCS(=O)(=O)O
ACDLabs 10.04O=S(=O)(O)CCCNC1CCCCC1
CACTVS 3.341O[S](=O)(=O)CCCNC1CCCCC1
Name:3-CYCLOHEXYL-1-PROPYLSULFONIC ACID
DrugBank: DB02219
ZINC: ZINC000002004372
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).