BioLiP

PDB

BioLiP

PDB CCD ID:

PJL

Number of entries in BioLiP:

Chemical formula:

C6 H7 N O4

InChI:

InChI=1S/C6H7NO4/c8-4-2-5(9)7-3-1-6(10)11/h2-4,8H,1H2,(H,10,11)/b4-2+,7-3+

InChIKey:

FVWUPCWGBLBUEE-JKEDICHKSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	C(/C=N/C(=O)/C=C/O)C(=O)O
CACTVS 3.385	O\C=C\C(=O)N=CCC(O)=O
OpenEye OEToolkits 2.0.6	C(C=NC(=O)C=CO)C(=O)O
CACTVS 3.385	OC=CC(=O)N=CCC(O)=O

Name:

(3~{E})-3-[(~{E})-3-oxidanylprop-2-enoyl]iminopropanoic 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).