BioLiP

PDB

BioLiP

PDB CCD ID:

PCT

Number of entries in BioLiP:

Chemical formula:

C2 H6 N O4 P

InChI:

InChI=1S/C2H6NO4P/c3-2(4)1-8(5,6)7/h1H2,(H2,3,4)(H2,5,6,7)

InChIKey:

AKVIWWJLBFWFLM-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=C(N)CP(=O)(O)O
OpenEye OEToolkits 1.5.0	C(C(=O)N)P(=O)(O)O
CACTVS 3.341	NC(=O)C[P](O)(O)=O

Name:

PHOSPHONOACETAMIDE

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).