BioLiP

PDB

BioLiP

PDB CCD ID:

MND

Number of entries in BioLiP:

Chemical formula:

C5 H10 N2 O3

InChI:

InChI=1S/C5H10N2O3/c1-7-4(8)2-3(6)5(9)10/h3H,2,6H2,1H3,(H,7,8)(H,9,10)/t3-/m1/s1

InChIKey:

CFRMVEKWKKDNAH-GSVOUGTGSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	CNC(=O)C[C@H](C(=O)O)N
OpenEye OEToolkits 1.7.0	CNC(=O)CC(C(=O)O)N
CACTVS 3.352	CNC(=O)C[C@@H](N)C(O)=O
ACDLabs 11.02	O=C(NC)CC(N)C(=O)O
CACTVS 3.352	CNC(=O)C[CH](N)C(O)=O

Name:

N-methyl-D-asparagine

ZINC:

ZINC000001573266

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).