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BioLiP

PDB CCD ID: QXU
Number of entries in BioLiP: 1
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:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0CC(=O)C1C(O1)c2ccccc2
CACTVS 3.385CC(=O)[C@H]1O[C@@H]1c2ccccc2
OpenEye OEToolkits 3.1.0.0CC(=O)[C@@H]1[C@H](O1)c2ccccc2
CACTVS 3.385CC(=O)[CH]1O[CH]1c2ccccc2
Name:1-[(2~{S},3~{R})-3-phenyloxiran-2-yl]ethanone
ZINC: ZINC000039071236
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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