BioLiP

PDB

BioLiP

PDB CCD ID:

XLR

Number of entries in BioLiP:

Chemical formula:

C7 H14 F2 N O8 P

InChI:

InChI=1S/C7H14F2NO8P/c8-7(9,19(16,17)18)1-4(12)6(14)5(13)2-10(15)3-11/h3-6,12-15H,1-2H2,(H2,16,17,18)/t4-,5+,6-/m1/s1

InChIKey:

JNDAAKGDFVOUBF-NGJCXOISSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C(C(C(C(CN(C=O)O)O)O)O)C(F)(F)P(=O)(O)O
ACDLabs 12.01	FC(F)(CC(O)C(O)C(O)CN(O)C=O)P(=O)(O)O
CACTVS 3.385	O[CH](CN(O)C=O)[CH](O)[CH](O)CC(F)(F)[P](O)(O)=O
CACTVS 3.385	O[C@@H](CN(O)C=O)[C@H](O)[C@H](O)CC(F)(F)[P](O)(O)=O
OpenEye OEToolkits 2.0.7	C([C@H]([C@H]([C@H](CN(C=O)O)O)O)O)C(F)(F)P(=O)(O)O

Name:

1,5,6-trideoxy-6,6-difluoro-1-(N-hydroxyformamido)-6-phosphono-D-ribo-hexitol

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).