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CHEBI:83759 - (2S,3R)-epoxiconazole

ChEBI IDCHEBI:83759
ChEBI Name(2S,3R)-epoxiconazole
Stars
ASCII Name(2S,3R)-epoxiconazole
DefinitionThe (2S,3R)-stereoisomer of 1-{[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole.
Last Modified18 November 2014
Submitternamrata
DownloadsMolfile
FormulaC17H13ClFN3O
Net Charge0
Average Mass329.762
Monoisotopic Mass329.07312
SMILES[H][C@]1(c2ccccc2Cl)O[C@]1(Cn1cncn1)c1ccc(F)cc1
InChIInChI=1S/C17H13ClFN3O/c18-15-4-2-1-3-14(15)16-17(23-16,9-22-11-20-10-21-22)12-5-7-13(19)8-6-12/h1-8,10-11,16H,9H2/t16-,17-/m1/s1
InChIKeyZMYFCFLJBGAQRS-IAGOWNOFSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3R)-epoxiconazole (CHEBI:83759) is a 1-{[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole (CHEBI:83758)
(2S,3R)-epoxiconazole (CHEBI:83759) is enantiomer of (2R,3S)-epoxiconazole (CHEBI:83761)
Incoming Relation(s)
epoxiconazole (CHEBI:4811) has part (2S,3R)-epoxiconazole (CHEBI:83759)
(2R,3S)-epoxiconazole (CHEBI:83761) is enantiomer of (2S,3R)-epoxiconazole (CHEBI:83759)
IUPAC Name 
1-{[(2S,3R)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole
Manual XrefsDatabases
C11229KEGG COMPOUND