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CHEBI:86979 - (3S,4S)-A2-58-06

ChEBI IDCHEBI:86979
ChEBI Name(3S,4S)-A2-58-06
Stars
ASCII Name(3S,4S)-A2-58-06
DefinitionA 4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(non-8-en-1-yl)oxetan-2-one in which the stereocentres at positions 3 and 4 have S-configuration.
Last Modified17 July 2015
SubmitterSteve
DownloadsMolfile
FormulaC18H27NO2S
Net Charge0
Average Mass321.486
Monoisotopic Mass321.17625
SMILESC=CCCCCCCC[C@@H]1C(=O)O[C@H]1CCc1csc(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/t16-,17-/m0/s1
InChIKeyQPEJTGSPTXRHOD-IRXDYDNUSA-N
ChEBI Ontology
Outgoing Relation(s)
(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)
Incoming Relation(s)
A2-58-06 (CHEBI:86342) has part (3S,4S)-A2-58-06 (CHEBI:86979)
IUPAC Name 
(3S,4S)-4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(non-8-en-1-yl)oxetan-2-one