BioLiP

PDB

BioLiP

PDB CCD ID:

295

Number of entries in BioLiP:

Chemical formula:

C9 H9 F O4

InChI:

InChI=1S/C9H9FO4/c10-6-3-1-5(2-4-6)7(11)8(12)9(13)14/h1-4,7-8,11-12H,(H,13,14)/t7-,8-/m0/s1

InChIKey:

DWYLYIVEFVSGCP-YUMQZZPRSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1cc(ccc1C(C(C(=O)O)O)O)F
OpenEye OEToolkits 1.5.0	c1cc(ccc1[C@@H]([C@@H](C(=O)O)O)O)F
CACTVS 3.341	O[C@@H]([C@@H](O)c1ccc(F)cc1)C(O)=O
CACTVS 3.341	O[CH]([CH](O)c1ccc(F)cc1)C(O)=O
ACDLabs 10.04	Fc1ccc(cc1)C(O)C(O)C(=O)O

Name:

(2S,3S)-3-(4-fluorophenyl)-2,3-dihydroxypropanoic acid

DrugBank:

DB06946

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).