BioLiP

PDB

BioLiP

PDB CCD ID:

QXU

Number of entries in BioLiP:

Chemical formula:

C10 H10 O2

InChI:

InChI=1S/C10H10O2/c1-7(11)9-10(12-9)8-5-3-2-4-6-8/h2-6,9-10H,1H3/t9-,10-/m1/s1

InChIKey:

IGCQIHCZUYCYAA-NXEZZACHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 3.1.0.0	CC(=O)C1C(O1)c2ccccc2
CACTVS 3.385	CC(=O)[C@H]1O[C@@H]1c2ccccc2
OpenEye OEToolkits 3.1.0.0	CC(=O)[C@@H]1[C@H](O1)c2ccccc2
CACTVS 3.385	CC(=O)[CH]1O[CH]1c2ccccc2

Name:

1-[(2~{S},3~{R})-3-phenyloxiran-2-yl]ethanone

ZINC:

ZINC000039071236

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).