BioLiP

PDB

BioLiP

PDB CCD ID:

DMK

Number of entries in BioLiP:

Chemical formula:

C6 H11 N O4

InChI:

InChI=1S/C6H11NO4/c1-6(2,5(10)11)3(7)4(8)9/h3H,7H2,1-2H3,(H,8,9)(H,10,11)/t3-/m1/s1

InChIKey:

NWZACHOBRMGGPL-GSVOUGTGSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	CC(C)(C(C(=O)O)N)C(=O)O
ACDLabs 12.01	NC(C(C(O)=O)(C)C)C(=O)O
OpenEye OEToolkits 1.7.6	CC(C)([C@@H](C(=O)O)N)C(=O)O
CACTVS 3.385	CC(C)([CH](N)C(O)=O)C(O)=O
CACTVS 3.385	CC(C)([C@H](N)C(O)=O)C(O)=O

Name:

3,3-DIMETHYL ASPARTIC ACID

ZINC:

ZINC000006762070

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).