BioLiP

PDB

BioLiP

PDB CCD ID:

F3T

Number of entries in BioLiP:

Chemical formula:

C5 H8 F3 N O3

InChI:

InChI=1S/C5H8F3NO3/c6-5(7,8)4(9)2(10)1-3(11)12/h2,4,10H,1,9H2,(H,11,12)/t2-,4+/m0/s1

InChIKey:

RLFDKCZBPFUOAZ-ZAFYKAAXSA-N

SMILES:

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

Name:

4-amino-2,4,5-trideoxy-5,5,5-trifluoro-L-threo-pentonic acid

ZINC:

ZINC000098208854

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).