SEQ2FUN

BioLiP

PDB CCD ID: WW2
Number of entries in BioLiP: 5
Chemical formula: C7 H14 F O2 P
InChI: InChI=1S/C7H14FO2P/c1-11(8,9)10-7-5-3-2-4-6-7/h7H,2-6H2,1H3/t11-/m0/s1
InChIKey: SNTRKUOVAPUGAY-NSHDSACASA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0C[P@](=O)(OC1CCCCC1)F
CACTVS 3.352C[P@](F)(=O)OC1CCCCC1
OpenEye OEToolkits 1.7.0CP(=O)(OC1CCCCC1)F
CACTVS 3.352C[P](F)(=O)OC1CCCCC1
ACDLabs 11.02O=P(F)(OC1CCCCC1)C
Name:cyclohexyl (S)-methylphosphonofluoridoate;
Cyclosarin
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).