BioLiP

PDB

BioLiP

PDB CCD ID:

DMH

Number of entries in BioLiP:

Chemical formula:

C6 H12 N2 O3

InChI:

InChI=1S/C6H12N2O3/c1-8(2)5(9)3-4(7)6(10)11/h4H,3,7H2,1-2H3,(H,10,11)/t4-/m0/s1

InChIKey:

AHEBZPSPUGRPFZ-BYPYZUCNSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CN(C)C(=O)CC(C(=O)O)N
ACDLabs 10.04	O=C(N(C)C)CC(N)C(=O)O
CACTVS 3.341	CN(C)C(=O)C[C@H](N)C(O)=O
OpenEye OEToolkits 1.5.0	CN(C)C(=O)C[C@@H](C(=O)O)N
CACTVS 3.341	CN(C)C(=O)C[CH](N)C(O)=O

Name:

N4,N4-DIMETHYL-ASPARAGINE

ZINC:

ZINC000008203399

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).