BioLiP

PDB

BioLiP

PDB CCD ID:

FA3

Number of entries in BioLiP:

Chemical formula:

C7 H9 F O5

InChI:

InChI=1S/C7H9FO5/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h1,4-5,9-10,13H,2H2,(H,11,12)/t4-,5-,7+/m1/s1

InChIKey:

DGZQZSSRYAJDAX-XAHCXIQSSA-N

SMILES:

Software	SMILES
CACTVS 3.341	O[CH]1C[C](O)(C=C(F)[CH]1O)C(O)=O
CACTVS 3.341	O[C@@H]1C[C@@](O)(C=C(F)[C@H]1O)C(O)=O
ACDLabs 10.04	FC1=CC(O)(C(=O)O)CC(O)C1O
OpenEye OEToolkits 1.5.0	C1[C@H]([C@@H](C(=C[C@]1(C(=O)O)O)F)O)O
OpenEye OEToolkits 1.5.0	C1C(C(C(=CC1(C(=O)O)O)F)O)O

Name:

2-ANHYDRO-3-FLUORO-QUINIC ACID

ChEMBL:

CHEMBL365468

DrugBank:

DB02786

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).