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CHEBI:191145 - N-(methylsulfonyl)-13-(3-pentyloxiranyl)-5z,8z,11z-tridecatrienamide

ChEBI IDCHEBI:191145
ChEBI NameN-(methylsulfonyl)-13-(3-pentyloxiranyl)-5z,8z,11z-tridecatrienamide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H35NO4S
Net Charge0
Average Mass397.581
Monoisotopic Mass397.22868
SMILESCCCCC[C@H]1O[C@H]1C/C=C\C/C=C\C/C=C\CCCC(=O)NS(C)(=O)=O
InChIInChI=1S/C21H35NO4S/c1-3-4-13-16-19-20(26-19)17-14-11-9-7-5-6-8-10-12-15-18-21(23)22-27(2,24)25/h5,7-8,10-11,14,19-20H,3-4,6,9,12-13,15-18H2,1-2H3,(H,22,23)/b7-5-,10-8-,14-11-/t19-,20+/m1/s1
InChIKeyUPGGGACSUDOHOT-AWVFLLPBSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) INS-1 cell (BTO:0002135) MetaboLights (MTBLS3963)
ChEBI Ontology
Outgoing Relation(s)
N-(methylsulfonyl)-13-(3-pentyloxiranyl)-5z,8z,11z-tridecatrienamide (CHEBI:191145) is a sulfonic acid derivative (CHEBI:33552)
IUPAC Name 
(5Z,8Z,11Z)-N-methylsulonyl-13-[(2S,3R)-3-pentyloxiran-2-yl]trideca-5,8,11-trienamide
Manual XrefsDatabases
29342148ChemSpider