BioLiP

PDB

BioLiP

PDB CCD ID:

AUM

Number of entries in BioLiP:

Chemical formula:

C3 H7 N2 O6 P

InChI:

InChI=1S/C3H7N2O6P/c6-3(7)1-5(4-8)2-12(9,10)11/h1-2H2,(H,6,7)(H2,9,10,11)

InChIKey:

BJYYBQPCMQGLLZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=NN(CC(=O)O)CP(=O)(O)O
OpenEye OEToolkits 2.0.7	C(C(=O)O)N(CP(=O)(O)O)N=O
CACTVS 3.385	OC(=O)CN(C[P](O)(O)=O)N=O

Name:

[nitroso(phosphonomethyl)amino]acetic acid

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).