BioLiP

PDB

BioLiP

PDB CCD ID:

DI6

Number of entries in BioLiP:

Chemical formula:

C6 H8 N2 O4

InChI:

InChI=1S/C6H8N2O4/c9-4(10)2-1-3-5(11)8-6(12)7-3/h3H,1-2H2,(H,9,10)(H2,7,8,11,12)/t3-/m0/s1

InChIKey:

VWFWNXQAMGDPGG-VKHMYHEASA-N

SMILES:

Software	SMILES
CACTVS 3.341	OC(=O)CC[CH]1NC(=O)NC1=O
CACTVS 3.341	OC(=O)CC[C@@H]1NC(=O)NC1=O
ACDLabs 10.04	O=C1NC(C(=O)N1)CCC(=O)O
OpenEye OEToolkits 1.5.0	C(CC(=O)O)[C@H]1C(=O)NC(=O)N1
OpenEye OEToolkits 1.5.0	C(CC(=O)O)C1C(=O)NC(=O)N1

Name:

3-[(4S)-2,5-DIOXOIMIDAZOLIDIN-4-YL]PROPANOIC ACID

ZINC:

ZINC000000112609

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).