BioLiP

PDB

BioLiP

PDB CCD ID:

A8G

Number of entries in BioLiP:

Chemical formula:

C4 H6 O3

InChI:

InChI=1S/C4H6O3/c5-4(6)3-1-2-7-3/h3H,1-2H2,(H,5,6)/t3-/m0/s1

InChIKey:

ZKCXAZCRQJSFTQ-VKHMYHEASA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)[C@@H]1CCO1
ACDLabs 12.01	O=C(O)C1CCO1
OpenEye OEToolkits 2.0.7	C1CO[C@@H]1C(=O)O
CACTVS 3.385	OC(=O)[CH]1CCO1
OpenEye OEToolkits 2.0.7	C1COC1C(=O)O

Name:

(2S)-oxetane-2-carboxylic acid

ZINC:

ZINC000016083111

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).