BioLiP

PDB

BioLiP

PDB CCD ID:

UAL

Number of entries in BioLiP:

Chemical formula:

C4 H7 N3 O3

InChI:

InChI=1S/C4H7N3O3/c5-2(3(8)9)1-7-4(6)10/h1H,5H2,(H,8,9)(H3,6,7,10)/b2-1-

InChIKey:

KFNFSNNTMFEOGR-UPHRSURJSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	C(=C(/C(=O)O)\N)\NC(=O)N
OpenEye OEToolkits 1.7.0	C(=C(C(=O)O)N)NC(=O)N
CACTVS 3.352	NC(=O)NC=C(N)C(O)=O
CACTVS 3.352	NC(=O)N/C=C(N)/C(O)=O

Name:

(2Z)-2-amino-3-(carbamoylamino)prop-2-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).