BioLiP

PDB

BioLiP

PDB CCD ID:

A33

Number of entries in BioLiP:

Chemical formula:

C6 H9 N O6

InChI:

InChI=1S/C6H9NO6/c7-6(5(12)13,1-3(8)9)2-4(10)11/h1-2,7H2,(H,8,9)(H,10,11)(H,12,13)

InChIKey:

ZJBWCVAEGNLETQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C(C(=O)O)C(CC(=O)O)(C(=O)O)N
CACTVS 3.341	NC(CC(O)=O)(CC(O)=O)C(O)=O
ACDLabs 10.04	O=C(O)CC(N)(C(=O)O)CC(=O)O

Name:

2-(carboxymethyl)-D-aspartic acid

ChEMBL:

CHEMBL1187596

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).