BioLiP

PDB

BioLiP

PDB CCD ID:

FKD

Number of entries in BioLiP:

Chemical formula:

C9 H15 F O9

InChI:

InChI=1S/C9H15FO9/c10-7-5(15)4(14)6(3(13)2(12)1-11)19-9(7,18)8(16)17/h2-7,11-15,18H,1H2,(H,16,17)/t2-,3-,4-,5-,6+,7-,9+/m1/s1

InChIKey:

KOWJBKIDVGQXJZ-QMFVTVPYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	C(C(C(C1C(C(C(C(O1)(C(=O)O)O)F)O)O)O)O)O
CACTVS 3.370	OC[C@@H](O)[C@@H](O)[C@@H]1O[C@@](O)([C@H](F)[C@H](O)[C@H]1O)C(O)=O
ACDLabs 12.01	O=C(O)C1(O)OC(C(O)C(O)C1F)C(O)C(O)CO
OpenEye OEToolkits 1.7.6	C([C@H]([C@H]([C@H]1[C@@H]([C@H]([C@H]([C@](O1)(C(=O)O)O)F)O)O)O)O)O
CACTVS 3.370	OC[CH](O)[CH](O)[CH]1O[C](O)([CH](F)[CH](O)[CH]1O)C(O)=O

Name:

3-deoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid;
3-deoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulosonic acid;
3-deoxy-3-fluoro-D-erythro-L-manno-non-2-ulosonic acid;
3-deoxy-3-fluoro-D-erythro-manno-non-2-ulosonic acid

DrugBank:

DB04694

ZINC:

ZINC000033836617

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).