BioLiP

PDB

BioLiP

PDB CCD ID:

KKD

Number of entries in BioLiP:

Chemical formula:

C6 H9 N O5

InChI:

InChI=1S/C6H9NO5/c1-3(8)7-4(6(11)12)2-5(9)10/h4H,2H2,1H3,(H,7,8)(H,9,10)(H,11,12)/t4-/m0/s1

InChIKey:

OTCCIMWXFLJLIA-BYPYZUCNSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(=O)N[CH](CC(O)=O)C(O)=O
CACTVS 3.385	CC(=O)N[C@@H](CC(O)=O)C(O)=O
ACDLabs 12.01	N(C(C)=O)C(C(=O)O)CC(=O)O
OpenEye OEToolkits 2.0.6	CC(=O)N[C@@H](CC(=O)O)C(=O)O
OpenEye OEToolkits 2.0.6	CC(=O)NC(CC(=O)O)C(=O)O

Name:

N-acetyl-L-aspartic acid

ChEMBL:

CHEMBL1162494

ZINC:

ZINC000002446417

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).