BioLiP

PDB

BioLiP

PDB CCD ID:

LLU

Number of entries in BioLiP:

Chemical formula:

C9 H9 F O3

InChI:

InChI=1S/C9H9FO3/c1-6(9(11)12)13-8-5-3-2-4-7(8)10/h2-6H,1H3,(H,11,12)/t6-/m0/s1

InChIKey:

MMWXPDDADHYFFS-LURJTMIESA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C[C@@H](C(=O)O)Oc1ccccc1F
OpenEye OEToolkits 2.0.7	CC(C(=O)O)Oc1ccccc1F
CACTVS 3.385	C[C@H](Oc1ccccc1F)C(O)=O
ACDLabs 12.01	CC(Oc1ccccc1F)C(=O)O
CACTVS 3.385	C[CH](Oc1ccccc1F)C(O)=O

Name:

(2S)-2-(2-fluorophenoxy)propanoic acid

ZINC:

ZINC000006678532

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).