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CHEBI:138626 - N-[(3R)-12-hydroxyjasmonyl]-L-isoleucinate

ChEBI IDCHEBI:138626
ChEBI NameN-[(3R)-12-hydroxyjasmonyl]-L-isoleucinate
Stars
ASCII NameN-[(3R)-12-hydroxyjasmonyl]-L-isoleucinate
DefinitionAn N-jasmonyl-L-α-amino acid anion obtained by deprotonation of the carboxy group of N-(12-hydroxyjasmonyl)-L-isoleucine; major species at pH 7.3.
Last Modified14 December 2017
Submitterlaimo
DownloadsMolfile
FormulaC18H28NO5
Net Charge-1
Average Mass338.424
Monoisotopic Mass338.19730
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)/p-1/b5-4-/t12-,13+,14?,17-/m0/s1
InChIKeyTXHIPUZLOILIIU-MJYWSMEFSA-M
ChEBI Ontology
Outgoing Relation(s)
N-[(3R)-12-hydroxyjasmonyl]-L-isoleucinate (CHEBI:138626) is a N-jasmonyl-L-α-amino acid anion (CHEBI:136183)
N-[(3R)-12-hydroxyjasmonyl]-L-isoleucinate (CHEBI:138626) is conjugate base of N-[(3R)-12-hydroxyjasmonyl]-L-isoleucine (CHEBI:139301)
Incoming Relation(s)
N-[(+)-12-hydroxy-7-isojasmonyl]-L-isoleucinate (CHEBI:136181) is a N-[(3R)-12-hydroxyjasmonyl]-L-isoleucinate (CHEBI:138626)
N-[(3R)-12-hydroxyjasmonyl]-L-isoleucine (CHEBI:139301) is conjugate acid of N-[(3R)-12-hydroxyjasmonyl]-L-isoleucinate (CHEBI:138626)
IUPAC Name 
(2S,3S)-2-(2-{(1R)-2-[(2Z)-5-hydroxypent-2-en-1-yl]-3-oxocyclopentyl}acetamido)-3-methylpentanoate
Synonym  Source
(3R)-12-hydroxyjasmonoyl-L-isoleucinate(1−)SUBMITTER
UniProt Name  Source
L-isoleucine-12-hydroxyjasmonateUniProt
Citations