BioLiP

PDB

BioLiP

PDB CCD ID:

FSG

Number of entries in BioLiP:

Chemical formula:

C2 H5 F N O5 P

InChI:

InChI=1S/C2H5FNO5P/c3-1(2(5)4-6)10(7,8)9/h1,6H,(H,4,5)(H2,7,8,9)/t1-/m0/s1

InChIKey:

PDPXHRBRYUQCQA-SFOWXEAESA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	[C@H](C(=O)NO)(F)P(=O)(O)O
CACTVS 3.341	ONC(=O)[CH](F)[P](O)(O)=O
ACDLabs 10.04	O=C(NO)C(F)P(=O)(O)O
OpenEye OEToolkits 1.5.0	C(C(=O)NO)(F)P(=O)(O)O
CACTVS 3.341	ONC(=O)[C@@H](F)[P](O)(O)=O

Name:

[(1S)-1-FLUORO-2-(HYDROXYAMINO)-2-OXOETHYL]PHOSPHONIC ACID

ZINC:

ZINC000038139027

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).