BioLiP

PDB

BioLiP

PDB CCD ID:

4NG

Number of entries in BioLiP:

Chemical formula:

C4 H8 N O6 P

InChI:

InChI=1S/C4H8NO6P/c6-3-1-2(12(9,10)11)4(7)5(3)8/h2-3,6,8H,1H2,(H2,9,10,11)/t2-,3-/m0/s1

InChIKey:

CGWBGDOPBYWJKZ-HRFVKAFMSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	C1(C(CC(N1O)O)P(O)(=O)O)=O
CACTVS 3.385	O[C@H]1C[C@@H](C(=O)N1O)[P](O)(O)=O
CACTVS 3.385	O[CH]1C[CH](C(=O)N1O)[P](O)(O)=O
OpenEye OEToolkits 1.9.2	C1C(C(=O)N(C1O)O)P(=O)(O)O
OpenEye OEToolkits 1.9.2	C1[C@@H](C(=O)N([C@H]1O)O)P(=O)(O)O

Name:

[(3S,5S)-1,5-dihydroxy-2-oxopyrrolidin-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).