BioLiP

PDB

BioLiP

PDB CCD ID:

O66

Number of entries in BioLiP:

Chemical formula:

C6 H8 N2 O3

InChI:

InChI=1S/C6H8N2O3/c9-5(10)2-1-4-6(11)8-3-7-4/h3-4H,1-2H2,(H,9,10)(H,7,8,11)/t4-/m1/s1

InChIKey:

HEXMLHKQVUFYME-SCSAIBSYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)CC[CH]1N=CNC1=O
OpenEye OEToolkits 2.0.7	C1=NC(C(=O)N1)CCC(=O)O
OpenEye OEToolkits 2.0.7	C1=N[C@@H](C(=O)N1)CCC(=O)O
CACTVS 3.385	OC(=O)CC[C@H]1N=CNC1=O

Name:

3-[(4~{R})-5-oxidanylidene-1,4-dihydroimidazol-4-yl]propanoic acid;
Imidazol-4-one-5-propionic 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).