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CHEBI:138627 - N-[(3R)-jasmonyl]-L-isoleucinate

ChEBI IDCHEBI:138627
ChEBI NameN-[(3R)-jasmonyl]-L-isoleucinate
Stars
ASCII NameN-[(3R)-jasmonyl]-L-isoleucinate
DefinitionAn N-jasmonyl-L-α-amino acid anion obtained by deprotonation of the carboxy group of N-[(3R)-jasmonyl]-L-isoleucine; major species at pH 7.3.
Last Modified14 December 2017
Submitterlaimo
DownloadsMolfile
FormulaC18H28NO4
Net Charge-1
Average Mass322.425
Monoisotopic Mass322.20238
SMILESCC/C=C\CC1C(=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)/p-1/b7-6-/t12-,13+,14?,17-/m0/s1
InChIKeyIBZYPBGPOGJMBF-LVJZJYDISA-M
ChEBI Ontology
Outgoing Relation(s)
N-[(3R)-jasmonyl]-L-isoleucinate (CHEBI:138627) is a N-jasmonyl-L-α-amino acid anion (CHEBI:136183)
N-[(3R)-jasmonyl]-L-isoleucinate (CHEBI:138627) is conjugate base of N-[(3R)-jasmonyl]-L-isoleucine (CHEBI:139302)
Incoming Relation(s)
N-[(+)-7-isojasmonyl]-L-isoleucinate (CHEBI:136180) is a N-[(3R)-jasmonyl]-L-isoleucinate (CHEBI:138627)
N-[(3R)-jasmonyl]-L-isoleucine (CHEBI:139302) is conjugate acid of N-[(3R)-jasmonyl]-L-isoleucinate (CHEBI:138627)
IUPAC Name 
(2S,3S)-3-methyl-2-(2-{(1R)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}acetamido)pentanoate
Synonym  Source
(3R)-jasmonoyl-L-isoleucinateSUBMITTER
UniProt Name  Source
a jasmonyl-L-isoleucinateUniProt
Citations