BioLiP

PDB

BioLiP

PDB CCD ID:

KVM

Number of entries in BioLiP:

Chemical formula:

C4 H6 N O6 P

InChI:

InChI=1S/C4H6NO6P/c6-3-1-2(12(9,10)11)4(7)5(3)8/h2,8H,1H2,(H2,9,10,11)/t2-/m0/s1

InChIKey:

DIVWAHZZQUETIB-REOHCLBHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	C1C(C(=O)N(C1=O)O)P(=O)(O)O
OpenEye OEToolkits 2.0.6	C1[C@@H](C(=O)N(C1=O)O)P(=O)(O)O
ACDLabs 12.01	OP(O)(=O)C1CC(N(O)C1=O)=O
CACTVS 3.385	ON1C(=O)C[CH](C1=O)[P](O)(O)=O
CACTVS 3.385	ON1C(=O)C[C@@H](C1=O)[P](O)(O)=O

Name:

[(3S)-1-hydroxy-2,5-dioxopyrrolidin-3-yl]phosphonic 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).