BioLiP

PDB

BioLiP

PDB CCD ID:

ASL

Number of entries in BioLiP:

Chemical formula:

C7 H11 N O6

InChI:

InChI=1S/C7H11NO6/c1-3(6(10)11)14-5(9)2-4(8)7(12)13/h3-4H,2,8H2,1H3,(H,10,11)(H,12,13)

InChIKey:

CWUGTWXZZHPDGI-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.370	CC(OC(=O)CC(N)C(O)=O)C(O)=O
OpenEye OEToolkits 1.7.6	CC(C(=O)O)OC(=O)CC(C(=O)O)N
ACDLabs 12.01	O=C(OC(C(=O)O)C)CC(C(=O)O)N

Name:

ASPARTIC ACID-4-CARBOXYETHYL ESTER

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).