BioLiP

PDB

BioLiP

PDB CCD ID:

K00

Number of entries in BioLiP:

Chemical formula:

C9 H15 F O8

InChI:

InChI=1S/C9H15FO8/c10-3-5(14)6(15)8(4(13)2(12)1-11)18-7(3)9(16)17/h2-8,11-15H,1H2,(H,16,17)/t2-,3-,4-,5+,6-,7+,8+/m1/s1

InChIKey:

LYONSLFAVFDWPW-KVCYNOHXSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.6.1	C([C@H]([C@H]([C@H]1[C@@H]([C@H]([C@H]([C@H](O1)C(=O)O)F)O)O)O)O)O
OpenEye OEToolkits 1.6.1	C(C(C(C1C(C(C(C(O1)C(=O)O)F)O)O)O)O)O
CACTVS 3.352	OC[C@@H](O)[C@@H](O)[C@@H]1O[C@@H]([C@H](F)[C@H](O)[C@H]1O)C(O)=O
CACTVS 3.352	OC[CH](O)[CH](O)[CH]1O[CH]([CH](F)[CH](O)[CH]1O)C(O)=O

Name:

(2R,3R,4R,5R,6S)-3-FLUORO-4,5-DIHYDROXY-6-[(1R,2R)-1,2,3-TRIHYDROXYPROPYL]OXANE-2-CARBOXYLIC 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).