SEQ2FUN

BioLiP

PDB CCD ID: A1CF5
Number of entries in BioLiP: 1
Chemical formula: C10 H9 F3 O4
InChI: InChI=1S/C10H9F3O4/c1-17-7-4-2-6(3-5-7)8(14)9(15,16)10(11,12)13/h2-5,15-16H,1H3
InChIKey: OJRZKDIVULZAPY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 14.52
CACTVS 3.385		COc1ccc(cc1)C(=O)C(O)(O)C(F)(F)F
OpenEye OEToolkits 3.1.0.0COc1ccc(cc1)C(=O)C(C(F)(F)F)(O)O
Name:3,3,3-trifluoro-2,2-dihydroxy-1-(4-methoxyphenyl)propan-1-one
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).