BioLiP

PDB

BioLiP

PDB CCD ID:

RQJ

Number of entries in BioLiP:

Chemical formula:

C8 H14 N2 O3

InChI:

InChI=1S/C8H14N2O3/c9-4-1-2-6(8(12)13)10-5-3-7(10)11/h6H,1-5,9H2,(H,12,13)/t6-/m0/s1

InChIKey:

WVWZICZAWWGULB-LURJTMIESA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C1CN(C1=O)[C@@H](CCCN)C(=O)O
ACDLabs 12.01	N1(C(C(=O)O)CCCN)C(=O)CC1
CACTVS 3.385	NCCC[C@H](N1CCC1=O)C(O)=O
OpenEye OEToolkits 2.0.7	C1CN(C1=O)C(CCCN)C(=O)O
CACTVS 3.385	NCCC[CH](N1CCC1=O)C(O)=O

Name:

deoxyproclavaminic acid;
(2S)-5-amino-2-(2-oxoazetidin-1-yl)pentanoic acid

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).