EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:220708 - N-<(-)-jasmonoyl-(S)>-isoleucine

ChEBI IDCHEBI:220708
ChEBI NameN-<(-)-jasmonoyl-(S)>-isoleucine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H29NO4
Net Charge0
Average Mass323.433
Monoisotopic Mass323.20966
SMILESCC/C=C\C[C@H]1C(=O)CC[C@@H]1CC(=O)N[C@H](C(=O)O)[C@H](C)CC
InChIInChI=1S/C18H29NO4/c1-4-6-7-8-14-13(9-10-15(14)20)11-16(21)19-17(18(22)23)12(3)5-2/h6-7,12-14,17H,4-5,8-11H2,1-3H3,(H,19,21)(H,22,23)/b7-6-/t12-,13-,14-,17+/m1/s1
InChIKeyIBZYPBGPOGJMBF-WTKQXPPDSA-N
Species of MetaboliteComponentSourceComments
Fusarium oxysporum (ncbitaxon:5507) - DOI (10.1016/s0031-9422(98)00596-2)
ChEBI Ontology
Outgoing Relation(s)
N-<(-)-jasmonoyl-(S)>-isoleucine (CHEBI:220708) is a isoleucine derivative (CHEBI:24899)
IUPAC Name 
(2S,3R)-3-methyl-2-[[2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetyl]amino]pentanoic acid
Manual XrefsDatabases
78438211ChemSpider