BioLiP

PDB

BioLiP

PDB CCD ID:

XE1

Number of entries in BioLiP:

Chemical formula:

H9 N2 O8 P3

InChI:

InChI=1S/H9N2O8P3/c3-11(4,1-12(5,6)7)2-13(8,9)10/h3-4,11H,(H3,1,5,6,7)(H3,2,8,9,10)

InChIKey:

ODGUPQBDYZTXCT-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	N(P(NP(=O)(O)O)(O)O)P(=O)(O)O
CACTVS 3.385	O[PH](O)(N[P](O)(O)=O)N[P](O)(O)=O
ACDLabs 12.01	N(P(NP(=O)(O)O)(O)O)P(O)(=O)O

Name:

N,N'-(dihydroxy-lambda~5~-phosphanediyl)bis(phosphoramidic 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).