BioLiP

PDB

BioLiP

PDB CCD ID:

IGB

Number of entries in BioLiP:

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:

Software	SMILES
OpenEye OEToolkits 2.0.7	C(=O)(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)O
CACTVS 3.385	OC(=O)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
OpenEye OEToolkits 2.0.7	C(=O)([C@@](C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)O
CACTVS 3.385	OC(=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, 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).