BioLiP

PDB

BioLiP

PDB CCD ID:

1LK

Number of entries in BioLiP:

Chemical formula:

C5 H11 F O9 P2

InChI:

InChI=1S/C5H11FO9P2/c6-3-1-13-4(5(3)7)2-14-17(11,12)15-16(8,9)10/h3-5,7H,1-2H2,(H,11,12)(H2,8,9,10)/t3-,4-,5+/m1/s1

InChIKey:

JLUFHMADAUUBBV-WDCZJNDASA-N

SMILES:

Software	SMILES
CACTVS 3.385	O[CH]1[CH](F)CO[CH]1CO[P](O)(=O)O[P](O)(O)=O
OpenEye OEToolkits 2.0.7	C1C(C(C(O1)COP(=O)(O)OP(=O)(O)O)O)F
OpenEye OEToolkits 2.0.7	C1[C@H]([C@@H]([C@H](O1)COP(=O)(O)OP(=O)(O)O)O)F
ACDLabs 12.01	OC1C(COP(=O)(O)OP(=O)(O)O)OCC1F
CACTVS 3.385	O[C@H]1[C@H](F)CO[C@@H]1CO[P](O)(=O)O[P](O)(O)=O

Name:

1,4-anhydro-2-deoxy-2-fluoro-5-O-[(S)-hydroxy(phosphonooxy)phosphoryl]-D-arabinitol

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).