BioLiP

PDB

BioLiP

PDB CCD ID:

B3D

Number of entries in BioLiP:

Chemical formula:

C5 H9 N O4

InChI:

InChI=1S/C5H9NO4/c6-3(1-4(7)8)2-5(9)10/h3H,1-2,6H2,(H,7,8)(H,9,10)

InChIKey:

BBJIPMIXTXKYLZ-UHFFFAOYSA-N

SMILES:

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

Name:

3-AMINOPENTANEDIOIC ACID;
BETA-HOMOASPARTATE

ZINC:

ZINC000000895793

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).