BioLiP

PDB

BioLiP

PDB CCD ID:

2XP

Number of entries in BioLiP:

Chemical formula:

C6 H7 N O3

InChI:

InChI=1S/C6H7NO3/c7-5(6(9)10)3-1-2-4-8/h1-2,4,7H,3H2,(H,9,10)/b2-1-,7-5-

InChIKey:

IZBQCPKKCVTOTK-PQZOIKATSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C(O)C(=[N@H])C/C=C\C=O
CACTVS 3.370	OC(=O)C(=N)C\C=C/C=O
CACTVS 3.370	OC(=O)C(=N)CC=CC=O
OpenEye OEToolkits 1.7.6	C(C=CC=O)C(=N)C(=O)O
OpenEye OEToolkits 1.7.6	[H]/N=C(/C/C=C\C=O)\C(=O)O

Name:

(2Z,4Z)-2-imino-6-oxohex-4-enoic 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).