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CHEBI:190114 - (R,E)-S-2-acetamido-13-(methylamino)-13-oxotridec-3-enyl ethanethioate

ChEBI IDCHEBI:190114
ChEBI Name(R,E)-S-2-acetamido-13-(methylamino)-13-oxotridec-3-enyl ethanethioate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H32N2O3S
Net Charge0
Average Mass356.532
Monoisotopic Mass356.21336
SMILESCNC(=O)CCCCCCCC/C=C/[C@H](CSC(C)=O)NC(C)=O
InChIInChI=1S/C18H32N2O3S/c1-15(21)20-17(14-24-16(2)22)12-10-8-6-4-5-7-9-11-13-18(23)19-3/h10,12,17H,4-9,11,13-14H2,1-3H3,(H,19,23)(H,20,21)/b12-10+/t17-/m1/s1
InChIKeySKFVXBGHGZPOOB-DPCFLFMUSA-N
Species of MetaboliteComponentSourceComments
Brassica napus (ncbitaxon:3708) flower (BTO:0000469) MetaboLights (MTBLS3950)
ChEBI Ontology
Outgoing Relation(s)
(R,E)-S-2-acetamido-13-(methylamino)-13-oxotridec-3-enyl ethanethioate (CHEBI:190114) is a thiocarboxylic ester (CHEBI:26959)
IUPAC Name 
S-[(E,2R)-2-acetamido-13-(methylamino)-13-oxotridec-3-enyl] ethanethioate