BioLiP

PDB

BioLiP

PDB CCD ID:

IXW

Number of entries in BioLiP:

Chemical formula:

C6 H10 O3

InChI:

InChI=1S/C6H10O3/c1-2-8-6(7)3-5-4-9-5/h5H,2-4H2,1H3/t5-/m0/s1

InChIKey:

WHUSTVAXKRFVPD-YFKPBYRVSA-N

SMILES:

Software	SMILES
CACTVS 3.370 OpenEye OEToolkits 1.7.6	CCOC(=O)C[C@H]1CO1
CACTVS 3.370	CCOC(=O)C[CH]1CO1
OpenEye OEToolkits 1.7.6	CCOC(=O)CC1CO1
ACDLabs 12.01	O=C(OCC)CC1OC1

Name:

ethyl (2S)-oxiran-2-ylacetate

ZINC:

ZINC000002581374

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).