BioLiP

PDB

BioLiP

PDB CCD ID:

A1BTZ

Number of entries in BioLiP:

Chemical formula:

C4 H10 N O5 P

InChI:

InChI=1S/C4H10NO5P/c5-4(1-6)2-9-11(7,8)10-3-4/h6H,1-3,5H2,(H,7,8)

InChIKey:

GYRKLTGURDVUJC-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	NC1(CO)CO[P](O)(=O)OC1
OpenEye OEToolkits 3.1.0.0	C1C(COP(=O)(O1)O)(CO)N
ACDLabs 14.52	NC1(COP(=O)(O)OC1)CO

Name:

(2r,5r)-5-amino-2-hydroxy-5-(hydroxymethyl)-1,3,2lambda~5~-dioxaphosphinan-2-one

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).