BioLiP

PDB

BioLiP

PDB CCD ID:

DYA

Number of entries in BioLiP:

Chemical formula:

C4 H5 N O4

InChI:

InChI=1S/C4H5NO4/c5-2(4(8)9)1-3(6)7/h1H,5H2,(H,6,7)(H,8,9)/b2-1-

InChIKey:

ABZHGLSYGDUSDL-UPHRSURJSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	C(=C(/C(=O)O)\N)\C(=O)O
OpenEye OEToolkits 1.7.6	C(=C(C(=O)O)N)C(=O)O
CACTVS 3.385	NC(=CC(O)=O)C(O)=O
CACTVS 3.385	N\C(=C/C(O)=O)C(O)=O

Name:

DIDEHYDROASPARTATE

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).