N-<9,10-dihydro-7-iso-jasmonoyl>-(S)-isoleucine (CHEBI:197810)

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CHEBI:197810 - N-<9,10-dihydro-7-iso-jasmonoyl>-(S)-isoleucine

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ChEBI ID	CHEBI:197810
ChEBI Name	N-<9,10-dihydro-7-iso-jasmonoyl>-(S)-isoleucine
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Submitter	MetaboLights
Downloads	Molfile

Formula	C18H31NO4
Net Charge	0
Average Mass	325.449
Monoisotopic Mass	325.22531
SMILES	CCCCC[C@@H]1C(=O)CC[C@@H]1CC(=O)N[C@H](C(=O)O)[C@H](C)CC
InChI	InChI=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
InChIKey	CEONHUOPPCKWAP-WVZRYYJFSA-N

Species of Metabolite	Component	Source	Comments
Fusarium oxysporum (ncbitaxon:5507)	-	DOI (10.1016/s0031-9422(98)00596-2)

ChEBI Ontology

Outgoing Relation(s)
	N-<9,10-dihydro-7-iso-jasmonoyl>-(S)-isoleucine (CHEBI:197810) is a isoleucine derivative (CHEBI:24899)

IUPAC Name
(2S,3R)-3-methyl-2-[[2-[(1R,2S)-3-oxo-2-pentylcyclopentyl]acetyl]amino]pentanoic acid

Manual Xrefs	Databases
78436278	ChemSpider