BioLiP

PDB

BioLiP

PDB CCD ID:

F3M

Number of entries in BioLiP:

Chemical formula:

C6 H10 F3 N O3

InChI:

InChI=1S/C6H10F3NO3/c1-13-4(12)2-3(11)5(10)6(7,8)9/h3,5,11H,2,10H2,1H3/t3-,5+/m0/s1

InChIKey:

ZVARBPCHAKEWAX-WVZVXSGGSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	COC(=O)C[C@@H]([C@H](C(F)(F)F)N)O
OpenEye OEToolkits 1.7.0	COC(=O)CC(C(C(F)(F)F)N)O
CACTVS 3.352	COC(=O)C[CH](O)[CH](N)C(F)(F)F
ACDLabs 11.02	O=C(OC)CC(O)C(N)C(F)(F)F
CACTVS 3.352	COC(=O)C[C@H](O)[C@@H](N)C(F)(F)F

Name:

methyl 4-amino-2,4,5-trideoxy-5,5,5-trifluoro-L-threo-pentonate

ZINC:

ZINC000032038192

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).