BioLiP

PDB

BioLiP

PDB CCD ID:

A1ATO

Number of entries in BioLiP:

Chemical formula:

C3 H6 N2 O

InChI:

InChI=1S/C3H6N2O/c4-2-1-5-3(2)6/h2H,1,4H2,(H,5,6)/t2-/m0/s1

InChIKey:

GCBWDZYSLVSRRI-REOHCLBHSA-N

SMILES:

Software	SMILES
CACTVS 3.385	N[C@H]1CNC1=O
OpenEye OEToolkits 2.0.7	C1C(C(=O)N1)N
ACDLabs 12.01	O=C1NCC1N
OpenEye OEToolkits 2.0.7	C1[C@@H](C(=O)N1)N
CACTVS 3.385	N[CH]1CNC1=O

Name:

(3S)-3-aminoazetidin-2-one

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).