EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:201933 - (N-[9,10-dihydro-7-iso-jasmonoyl]-(S)-isoleucine

ChEBI IDCHEBI:201933
ChEBI Name(N-[9,10-dihydro-7-iso-jasmonoyl]-(S)-isoleucine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H31NO4
Net Charge0
Average Mass325.449
Monoisotopic Mass325.22531
SMILESCCCCC[C@@H]1C(=O)CC[C@@H]1CC(=O)NC(C(=O)O)C(C)CC
InChIInChI=1S/C18H31NO4/c1-4-6-7-8-14-13(9-10-15(14)20)11-16(21)19-17(18(22)23)12(3)5-2/h12-14,17H,4-11H2,1-3H3,(H,19,21)(H,22,23)/t12?,13-,14+,17?/m1/s1
InChIKeyCEONHUOPPCKWAP-DLOXAQCQSA-N
Species of MetaboliteComponentSourceComments
Fusarium (ncbitaxon:5506) - DOI (10.1016/s0031-9422(98)00596-2)
ChEBI Ontology
Outgoing Relation(s)
(N-[9,10-dihydro-7-iso-jasmonoyl]-(S)-isoleucine (CHEBI:201933) is a isoleucine derivative (CHEBI:24899)
IUPAC Name 
3-methyl-2-[[2-[(1R,2S)-3-oxo-2-pentylcyclopentyl]acetyl]amino]pentanoic acid
Manual XrefsDatabases
78436789ChemSpider