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CHEBI:86972 - 4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(non-8-en-1-yl)oxetan-2-one

Default Structure
ChEBI IDCHEBI:86972
ChEBI Name4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(non-8-en-1-yl)oxetan-2-one
Stars
DefinitionA β-lactone carrying non-8-en-1-yl and 2-(2-methyl-1,3-thiazol-4-yl)ethyl substituents at positions 3 and 4 respectively.
Last Modified17 July 2015
SubmitterSteve
DownloadsMolfile
FormulaC18H27NO2S
Net Charge0
Average Mass321.486
Monoisotopic Mass321.17625
SMILESC=CCCCCCCCC1C(=O)OC1CCc1csc(C)n1
InChIInChI=1S/C18H27NO2S/c1-3-4-5-6-7-8-9-10-16-17(21-18(16)20)12-11-15-13-22-14(2)19-15/h3,13,16-17H,1,4-12H2,2H3
InChIKeyQPEJTGSPTXRHOD-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(non-8-en-1-yl)oxetan-2-one (CHEBI:86972) is a 1,3-thiazoles (CHEBI:38418)
4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(non-8-en-1-yl)oxetan-2-one (CHEBI:86972) is a olefinic compound (CHEBI:78840)
4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(non-8-en-1-yl)oxetan-2-one (CHEBI:86972) is a β-lactone (CHEBI:49043)
Incoming Relation(s)
(3R,4R)-A2-58-06 (CHEBI:86978) is a 4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(non-8-en-1-yl)oxetan-2-one (CHEBI:86972)
(3S,4S)-A2-58-06 (CHEBI:86979) is a 4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(non-8-en-1-yl)oxetan-2-one (CHEBI:86972)
IUPAC Name 
4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(non-8-en-1-yl)oxetan-2-one