BioLiP

PDB

BioLiP

PDB CCD ID:

9O6

Number of entries in BioLiP:

Chemical formula:

C9 H9 F O3

InChI:

InChI=1S/C9H9FO3/c10-7(8(11)9(12)13)6-4-2-1-3-5-6/h1-5,7-8,11H,(H,12,13)/t7-,8-/m0/s1

InChIKey:

POQABCILWJYWJF-YUMQZZPRSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1ccc(cc1)[C@@H]([C@@H](C(=O)O)O)F
CACTVS 3.385	O[C@@H]([C@@H](F)c1ccccc1)C(O)=O
OpenEye OEToolkits 2.0.6	c1ccc(cc1)C(C(C(=O)O)O)F
CACTVS 3.385	O[CH]([CH](F)c1ccccc1)C(O)=O
ACDLabs 12.01	c1cccc(c1)C(C(O)C(=O)O)F

Name:

(2R,3S)-3-fluoro-2-hydroxy-3-phenylpropanoic acid

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).