BioLiP

PDB

BioLiP

PDB CCD ID:

EX8

Number of entries in BioLiP:

Chemical formula:

C5 H8 F N O3

InChI:

InChI=1S/C5H8FNO3/c6-3-2(8)1-7-4(3)5(9)10/h2-4,7-8H,1H2,(H,9,10)/t2-,3-,4-/m0/s1

InChIKey:

YKUGAOZPOJCILK-HZLVTQRSSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C1C(C(C(N1)C(=O)O)F)O
OpenEye OEToolkits 2.0.7	C1[C@@H]([C@@H]([C@H](N1)C(=O)O)F)O
CACTVS 3.385	O[CH]1CN[CH]([CH]1F)C(O)=O
CACTVS 3.385	O[C@H]1CN[C@@H]([C@H]1F)C(O)=O

Name:

(2~{R},3~{R},4~{S})-3-fluoranyl-4-oxidanyl-pyrrolidine-2-carbaldehyde

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).