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CHEBI:139301 - N-[(3R)-12-hydroxyjasmonyl]-L-isoleucine

ChEBI IDCHEBI:139301
ChEBI NameN-[(3R)-12-hydroxyjasmonyl]-L-isoleucine
Stars
ASCII NameN-[(3R)-12-hydroxyjasmonyl]-L-isoleucine
DefinitionAn L-isoleucine derivative resulting from the formal condensation of the carboxy group of (3R)-12-hydroxyjasmonic acid with the amino group of L-isoleucine.
Last Modified14 December 2017
SubmitterSteve
DownloadsMolfile
FormulaC18H29NO5
Net Charge0
Average Mass339.432
Monoisotopic Mass339.20457
SMILESCC[C@H](C)[C@H](NC(=O)C[C@H]1CCC(=O)C1C/C=C\CCO)C(=O)O
InChIInChI=1S/C18H29NO5/c1-3-12(2)17(18(23)24)19-16(22)11-13-8-9-15(21)14(13)7-5-4-6-10-20/h4-5,12-14,17,20H,3,6-11H2,1-2H3,(H,19,22)(H,23,24)/b5-4-/t12-,13+,14?,17-/m0/s1
InChIKeyTXHIPUZLOILIIU-MJYWSMEFSA-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)-12-hydroxyjasmonyl]-L-isoleucine (CHEBI:139301) is a N-acyl-L-α-amino acid (CHEBI:48927)
N-[(3R)-12-hydroxyjasmonyl]-L-isoleucine (CHEBI:139301) is a L-isoleucine derivative (CHEBI:84111)
N-[(3R)-12-hydroxyjasmonyl]-L-isoleucine (CHEBI:139301) is a fatty amide (CHEBI:29348)
N-[(3R)-12-hydroxyjasmonyl]-L-isoleucine (CHEBI:139301) is a homoallylic alcohol (CHEBI:134362)
N-[(3R)-12-hydroxyjasmonyl]-L-isoleucine (CHEBI:139301) is conjugate acid of N-[(3R)-12-hydroxyjasmonyl]-L-isoleucinate (CHEBI:138626)
Incoming Relation(s)
N-[(3R)-12-hydroxyjasmonyl]-L-isoleucinate (CHEBI:138626) is conjugate base of N-[(3R)-12-hydroxyjasmonyl]-L-isoleucine (CHEBI:139301)
IUPAC Name 
N-({(1R)-2-[(2Z)-5-hydroxypent-2-en-1-yl]-3-oxocyclopentyl}acetyl)-L-isoleucine
Registry NumbersSources
Reaxys:26688570Reaxys