SEQ2FUN

BioLiP

PDB CCD ID: FAC
Number of entries in BioLiP: 1
Chemical formula: C3 H2 F6 O2
InChI: InChI=1S/C3H2F6O2/c4-2(5,6)1(10,11)3(7,8)9/h10-11H
InChIKey: AKVXSYUWYXOLMY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C(F)(F)F)(C(F)(F)F)(O)O
ACDLabs 10.04FC(F)(F)C(O)(O)C(F)(F)F
CACTVS 3.341OC(O)(C(F)(F)F)C(F)(F)F
Name:1,1,1,3,3,3-HEXAFLUOROPROPANEDIOL;
HEXAFLUOROACETONE HYDRATE
ChEMBL: CHEMBL84242
DrugBank: DB02922
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).