BioLiP

PDB

BioLiP

PDB CCD ID:

4ON

Number of entries in BioLiP:

Chemical formula:

C18 H29 F O2

InChI:

InChI=1S/C18H29FO2/c1-3-4-8-16(19)9-6-5-7-14(2)10-15-11-17(20)13-18(21)12-15/h11-14,16,20-21H,3-10H2,1-2H3/t14-,16+/m0/s1

InChIKey:

OSAGUKIZXFZGQI-GOEBONIOSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCCC[CH](F)CCCC[CH](C)Cc1cc(O)cc(O)c1
CACTVS 3.385	CCCC[C@@H](F)CCCC[C@H](C)Cc1cc(O)cc(O)c1
OpenEye OEToolkits 2.0.7	CCCCC(CCCCC(C)Cc1cc(cc(c1)O)O)F
OpenEye OEToolkits 2.0.7	CCCC[C@H](CCCC[C@H](C)Cc1cc(cc(c1)O)O)F

Name:

5-[(2S,7R)-7-fluoranyl-2-methyl-undecyl]benzene-1,3-diol

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).