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CHEBI:139302 - N-[(3R)-jasmonyl]-L-isoleucine

ChEBI IDCHEBI:139302
ChEBI NameN-[(3R)-jasmonyl]-L-isoleucine
Stars
ASCII NameN-[(3R)-jasmonyl]-L-isoleucine
DefinitionAn L-isoleucine derivative resulting from the formal condensation of the carboxy group of (3R)-jasmonic acid with the amino group of L-isoleucine.
Last Modified14 December 2017
SubmitterSteve
DownloadsMolfile
FormulaC18H29NO4
Net Charge0
Average Mass323.433
Monoisotopic Mass323.20966
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)/b7-6-/t12-,13+,14?,17-/m0/s1
InChIKeyIBZYPBGPOGJMBF-LVJZJYDISA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
N-[(3R)-jasmonyl]-L-isoleucine (CHEBI:139302) is a N-acyl-L-α-amino acid (CHEBI:48927)
N-[(3R)-jasmonyl]-L-isoleucine (CHEBI:139302) is a L-isoleucine derivative (CHEBI:84111)
N-[(3R)-jasmonyl]-L-isoleucine (CHEBI:139302) is a fatty amide (CHEBI:29348)
N-[(3R)-jasmonyl]-L-isoleucine (CHEBI:139302) is conjugate acid of N-[(3R)-jasmonyl]-L-isoleucinate (CHEBI:138627)
Incoming Relation(s)
N-[(3R)-jasmonyl]-L-isoleucinate (CHEBI:138627) is conjugate base of N-[(3R)-jasmonyl]-L-isoleucine (CHEBI:139302)
IUPAC Name 
N-({(1R)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}acetyl)-L-isoleucine
Synonym  Source
(3R)-jasmonoyl-L-isoleucineChEBI
Registry NumbersSources
Reaxys:18883676Reaxys