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CHEBI:137044 - N-[(+)-12-hydroxy-7-isojasmonyl]isoleucine

ChEBI IDCHEBI:137044
ChEBI NameN-[(+)-12-hydroxy-7-isojasmonyl]isoleucine
Stars
ASCII NameN-[(+)-12-hydroxy-7-isojasmonyl]isoleucine
DefinitionAn L-isoleucine derivative resulting from the formal condensation of the carboxy group of (+)-12-hydroxy-7-isojasmonic acid with the amino group of L-isoleucine.
Secondary ChEBI IDCHEBI:136774
Last Modified14 March 2018
Submittermwilliams, Steve
DownloadsMolfile
FormulaC18H29NO5
Net Charge0
Average Mass339.432
Monoisotopic Mass339.20457
SMILESCC[C@H](C)[C@H](NC(=O)C[C@H]1CCC(=O)[C@H]1C/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-RAJZRIHCSA-N
Species of MetaboliteComponentSourceComments
Brassica napus (ncbitaxon:3708)
- PubMed (27500669)
- MetaboLights (MTBLS312)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
Brassica napus metabolite  Any plant metabolite that is produced by rapeseed (Brassica napus).
ChEBI Ontology
Outgoing Relation(s)
N-[(+)-12-hydroxy-7-isojasmonyl]isoleucine (CHEBI:137044) has functional parent tuberonic acid (CHEBI:133220)
N-[(+)-12-hydroxy-7-isojasmonyl]isoleucine (CHEBI:137044) has role Brassica napus metabolite (CHEBI:140165)
N-[(+)-12-hydroxy-7-isojasmonyl]isoleucine (CHEBI:137044) is a N-acyl-L-α-amino acid (CHEBI:48927)
N-[(+)-12-hydroxy-7-isojasmonyl]isoleucine (CHEBI:137044) is a L-isoleucine derivative (CHEBI:84111)
N-[(+)-12-hydroxy-7-isojasmonyl]isoleucine (CHEBI:137044) is a fatty amide (CHEBI:29348)
N-[(+)-12-hydroxy-7-isojasmonyl]isoleucine (CHEBI:137044) is a homoallylic alcohol (CHEBI:134362)
N-[(+)-12-hydroxy-7-isojasmonyl]isoleucine (CHEBI:137044) is a primary alcohol (CHEBI:15734)
N-[(+)-12-hydroxy-7-isojasmonyl]isoleucine (CHEBI:137044) is conjugate acid of N-[(+)-12-hydroxy-7-isojasmonyl]-L-isoleucinate (CHEBI:136181)
Incoming Relation(s)
N-[(+)-12-hydroxy-7-isojasmonyl]-L-isoleucinate (CHEBI:136181) is conjugate base of N-[(+)-12-hydroxy-7-isojasmonyl]isoleucine (CHEBI:137044)
IUPAC Name 
N-({(1R,2S)-2-[(2Z)-5-hydroxypent-2-en-1-yl]-3-oxocyclopentyl}acetyl)-L-isoleucine
Synonyms  Source
(+)-7-iso-12-hydroxyjasmonoyl-L-isoleucineMetaCyc
(3R,7S)-12-hydroxyjasmonoyl-L-isoleucineMetaCyc
N-[(3R,7S)-12-hydroxyjasmonyl]-L-isoleucineChEBI
(3R,7S)-12-OH-JA-IleMetaCyc
(3R,7S)-12-hydroxyjasmonoyl-isoleucineMetaCyc
7-iso-12-OH-JA-IleChEBI
Manual XrefsDatabases
CPD-13420MetaCyc