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

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ChEBI Name N-[(+)-12-hydroxy-7-isojasmonyl]isoleucine
ChEBI ID CHEBI:137044
ChEBI ASCII Name N-[(+)-12-hydroxy-7-isojasmonyl]isoleucine
Definition An 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.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:136774
Supplier Information
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Formula C18H29NO5
Net Charge 0
Average Mass 339.427
Monoisotopic Mass 339.20457
InChI InChI=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
InChIKey TXHIPUZLOILIIU-RAJZRIHCSA-N
SMILES [C@@H]1([C@H](CCC1=O)CC(N[C@H](C(O)=O)[C@H](CC)C)=O)C/C=C\CCO
Metabolite of Species Details
Brassica napus (NCBI:txid3708) See: PubMed
Brassica napus (NCBI:txid3708) See: MetaboLights Study
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): Brassica napus metabolite
Any plant metabolite that is produced by rapeseed (Brassica napus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 Sources
(+)-7-iso-12-hydroxyjasmonoyl-L-isoleucine MetaCyc
(2S,3S)-2-(2-{(1R,2S)-2-[(2Z)-5-hydroxypent-2-en-1-yl]-3-oxocyclopentyl}acetamido)-3-methylpentanoic acid IUPAC
(3R,7S)-12-hydroxyjasmonoyl-isoleucine MetaCyc
(3R,7S)-12-hydroxyjasmonoyl-L-isoleucine MetaCyc
(3R,7S)-12-OH-JA-Ile MetaCyc
12-OH-7-iso-JA-Ile ChEBI
12-OH-7-iso-JA-L-Ile ChEBI
7-iso-12-OH-JA-Ile ChEBI
7-iso-12-OH-JA-L-Ile ChEBI
N-[(3R,7S)-12-hydroxyjasmonyl]-L-isoleucine ChEBI
N-tuberonyl-L-isoleucine ChEBI
N-tuberonylisoleucine ChEBI
Manual Xref Database
CPD-13420 MetaCyc
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Last Modified
14 March 2018