BioLiP

PDB

BioLiP

PDB CCD ID:

JEG

Number of entries in BioLiP:

Chemical formula:

C6 H9 N O4

InChI:

InChI=1S/C6H9NO4/c7-6(5(10)11)1-3(2-6)4(8)9/h3H,1-2,7H2,(H,8,9)(H,10,11)/t3-,6-

InChIKey:

GGMYWPBNZXRMME-HSRNZHMGSA-N

SMILES:

Software	SMILES
CACTVS 3.385	N[C]1(C[CH](C1)C(O)=O)C(O)=O
CACTVS 3.385	N[C@@]1(C[C@H](C1)C(O)=O)C(O)=O
OpenEye OEToolkits 1.9.2	C1C(CC1(C(=O)O)N)C(=O)O
ACDLabs 12.01	O=C(O)C1CC(C(=O)O)(N)C1

Name:

trans-1-aminocyclobutane-1,3-dicarboxylic acid

ChEMBL:

CHEMBL1437288

ZINC:

ZINC000100114054

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).