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BioLiP

PDB CCD ID: IXW
Number of entries in BioLiP: 2
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:
SoftwareSMILES
CACTVS 3.370
OpenEye OEToolkits 1.7.6		CCOC(=O)C[C@H]1CO1
CACTVS 3.370CCOC(=O)C[CH]1CO1
OpenEye OEToolkits 1.7.6CCOC(=O)CC1CO1
ACDLabs 12.01O=C(OCC)CC1OC1
Name:ethyl (2S)-oxiran-2-ylacetate
ZINC: ZINC000002581374
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).
  • 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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