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CHEBI:199285 - (2'S,3'S)-[(2E,4E)-2-methyl-hexa-2,4-dienoic acid isoleucinaldehyde]

ChEBI IDCHEBI:199285
ChEBI Name(2'S,3'S)-[(2E,4E)-2-methyl-hexa-2,4-dienoic acid isoleucinaldehyde]
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H21NO2
Net Charge0
Average Mass223.316
Monoisotopic Mass223.15723
SMILESC/C=C/C=C(\C)C(=O)N[C@H](C=O)[C@@H](C)CC
InChIInChI=1S/C13H21NO2/c1-5-7-8-11(4)13(16)14-12(9-15)10(3)6-2/h5,7-10,12H,6H2,1-4H3,(H,14,16)/b7-5+,11-8+/t10-,12+/m0/s1
InChIKeyGQAGJBDOVWXYQZ-GUBBLXHUSA-N
Species of MetaboliteComponentSourceComments
Furcasterigmium furcatum (ncbitaxon:2710536) - PubMed (16956630)
ChEBI Ontology
Outgoing Relation(s)
(2'S,3'S)-[(2E,4E)-2-methyl-hexa-2,4-dienoic acid isoleucinaldehyde] (CHEBI:199285) is a fatty amide (CHEBI:29348)
IUPAC Name 
(2E,4E)-2-methyl-N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]hexa-2,4-dienamide
Manual XrefsDatabases
78440040ChemSpider