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CHEBI:136180 - N-[(+)-7-isojasmonyl]-L-isoleucinate

ChEBI IDCHEBI:136180
ChEBI NameN-[(+)-7-isojasmonyl]-L-isoleucinate
Stars
ASCII NameN-[(+)-7-isojasmonyl]-L-isoleucinate
DefinitionAn N-jasmonyl-L-α-amino acid anion obtained by deprotonation of the carboxy group of N-[(+)-7-isojasmonyl]-L-isoleucine; major species at pH 7.3.
Last Modified12 May 2017
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC18H28NO4
Net Charge-1
Average Mass322.425
Monoisotopic Mass322.20238
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)/p-1/b7-6-/t12-,13+,14-,17-/m0/s1
InChIKeyIBZYPBGPOGJMBF-QPERPISQSA-M
ChEBI Ontology
Outgoing Relation(s)
N-[(+)-7-isojasmonyl]-L-isoleucinate (CHEBI:136180) is a N-[(3R)-jasmonyl]-L-isoleucinate (CHEBI:138627)
N-[(+)-7-isojasmonyl]-L-isoleucinate (CHEBI:136180) is a N-jasmonyl-L-α-amino acid anion (CHEBI:136183)
N-[(+)-7-isojasmonyl]-L-isoleucinate (CHEBI:136180) is conjugate base of N-[(+)-7-isojasmonyl]-L-isoleucine (CHEBI:137043)
Incoming Relation(s)
N-[(+)-7-isojasmonyl]-L-isoleucine (CHEBI:137043) is conjugate acid of N-[(+)-7-isojasmonyl]-L-isoleucinate (CHEBI:136180)
IUPAC Name 
(2S,3S)-3-methyl-2-(2-{(1R,2S)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}acetamido)pentanoate
Synonyms  Source
N-[(+)-7-isojasmonyl]isoleucinateChEBI
(+)-7-isojasmonic acid-L-isoleucinate conjugateChEBI
(+)-7-isojasmonyl-L-isoleucinateChEBI
(+)-7-epi-jasmonoyl-L-isoleucinateChEBI
N-({(R,2S)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}acetyl)-L-isoleucinateChEBI
UniProt Name  Source
L-isoleucine-(+)-7-isojasmonateUniProt
Manual XrefsDatabases
CPD-11259MetaCyc