BioLiP

PDB

BioLiP

PDB CCD ID:

5VV

Number of entries in BioLiP:

Chemical formula:

C5 H8 N2 O5

InChI:

InChI=1S/C5H8N2O5/c6-3(8)1-2(4(9)10)7-5(11)12/h2,7H,1H2,(H2,6,8)(H,9,10)(H,11,12)/t2-/m0/s1

InChIKey:

ZDDDMWAFNPCPER-REOHCLBHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C(C(C(=O)O)NC(=O)O)C(=O)N
CACTVS 3.385	NC(=O)C[CH](NC(O)=O)C(O)=O
CACTVS 3.385	NC(=O)C[C@H](NC(O)=O)C(O)=O
OpenEye OEToolkits 2.0.7	C([C@@H](C(=O)O)NC(=O)O)C(=O)N

Name:

N-carbamoyl-L-Asparagine

ZINC:

ZINC000584905149

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).