BioLiP

PDB

BioLiP

PDB CCD ID:

2IT

Number of entries in BioLiP:

Chemical formula:

C5 H7 N O4

InChI:

InChI=1S/C5H7NO4/c6-3(5(9)10)1-2-4(7)8/h6H,1-2H2,(H,7,8)(H,9,10)/b6-3-

InChIKey:

UZWLXPOZNAJCJV-UTCJRWHESA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)CCC(=N)C(O)=O
OpenEye OEToolkits 1.7.6	C(CC(=O)O)C(=N)C(=O)O
ACDLabs 12.01	O=C(O)CCC(=[N@H])C(=O)O
OpenEye OEToolkits 1.7.6	[H]/N=C(/CCC(=O)O)\C(=O)O

Name:

(2Z)-2-iminopentanedioic 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).