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CHEBI:137043 - N-[(+)-7-isojasmonyl]-L-isoleucine

ChEBI IDCHEBI:137043
ChEBI NameN-[(+)-7-isojasmonyl]-L-isoleucine
Stars
ASCII NameN-[(+)-7-isojasmonyl]-L-isoleucine
DefinitionAn L-isoleucine derivative resulting from the formal condensation of the carboxy group of (+)-7-isojasmonic acid with the amino group of L-isoleucine.
Last Modified12 May 2017
SubmitterSteve
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-/m0/s1
InChIKeyIBZYPBGPOGJMBF-QPERPISQSA-N
Species of MetaboliteComponentSourceComments
Solanum lycopersicum (ncbitaxon:4081) - PubMed (20012084)
Arabidopsis thaliana (ncbitaxon:3702) - PubMed (19349968)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
jasmonates  The jasmonates (JAs) are a group of plant hormones which help regulate plant growth and development.
ChEBI Ontology
Outgoing Relation(s)
N-[(+)-7-isojasmonyl]-L-isoleucine (CHEBI:137043) has functional parent (+)-7-isojasmonic acid (CHEBI:18435)
N-[(+)-7-isojasmonyl]-L-isoleucine (CHEBI:137043) has role jasmonates (CHEBI:24937)
N-[(+)-7-isojasmonyl]-L-isoleucine (CHEBI:137043) has role plant metabolite (CHEBI:76924)
N-[(+)-7-isojasmonyl]-L-isoleucine (CHEBI:137043) is a N-acyl-L-α-amino acid (CHEBI:48927)
N-[(+)-7-isojasmonyl]-L-isoleucine (CHEBI:137043) is a L-isoleucine derivative (CHEBI:84111)
N-[(+)-7-isojasmonyl]-L-isoleucine (CHEBI:137043) is a fatty amide (CHEBI:29348)
N-[(+)-7-isojasmonyl]-L-isoleucine (CHEBI:137043) is conjugate acid of N-[(+)-7-isojasmonyl]-L-isoleucinate (CHEBI:136180)
Incoming Relation(s)
N-[(+)-7-isojasmonyl]-L-isoleucinate (CHEBI:136180) is conjugate base of N-[(+)-7-isojasmonyl]-L-isoleucine (CHEBI:137043)
IUPAC Name 
N-({(R,2S)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}acetyl)-L-isoleucine
Synonyms  Source
(3R,7S)-JA-L-IleMetaCyc
(+)-7-iso-JA-L-IleMetaCyc
(+)-7-isojasmonyl-L-isoleucineMetaCyc
(+)-7-isojasmonic acid-L-isoleucine conjugateMetaCyc
N-[(+)-7-isojasmonyl]isoleucineChEBI
(+)-7-iso-JA-IleChEBI
Manual XrefsDatabases
CPD-11259MetaCyc
Registry NumbersSources
Reaxys:18883677Reaxys
Citations