BioLiP

PDB

BioLiP

PDB CCD ID:

MZH

Number of entries in BioLiP:

Chemical formula:

C10 H12 N2 O5

InChI:

InChI=1S/C10H12N2O5/c13-7-1-2-8(14)11(7)5-17-6-12-9(15)3-4-10(12)16/h1-6H2

InChIKey:

QIKFOEHAAPDKRH-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C1N(C(=O)CC1)COCN2C(=O)CCC2=O
OpenEye OEToolkits 1.7.6	C1CC(=O)N(C1=O)COCN2C(=O)CCC2=O
CACTVS 3.370	O=C1CCC(=O)N1COCN2C(=O)CCC2=O

Name:

1,1'-(oxydimethanediyl)dipyrrolidine-2,5-dione

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).