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BioLiP

PDB CCD ID: IGB
Number of entries in BioLiP: 2
Chemical formula: C6 H F11 O3
InChI: InChI=1S/C6HF11O3/c7-2(1(18)19,4(10,11)12)20-6(16,17)3(8,9)5(13,14)15/h(H,18,19)/t2-/m0/s1
InChIKey: CSEBNABAWMZWIF-REOHCLBHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C(=O)(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)O
CACTVS 3.385OC(=O)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
OpenEye OEToolkits 2.0.7C(=O)([C@@](C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)O
CACTVS 3.385OC(=O)[C](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
Name:(2R)-2,3,3,3-tetrakis(fluoranyl)-2-[1,1,2,2,3,3,3-heptakis(fluoranyl)propoxy]propanoic acid;
2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanoic acid
ZINC: ZINC000059222212
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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