Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 06:58:17 UTC
Update Date2022-08-31 06:40:46 UTC
Metabolite IDMMDBc0016295
Metabolite Identification
Common NameN-<(-)-jasmonoyl-(S)>-isoleucine
DescriptionN-<(-)-jasmonoyl-(S)>-isoleucine belongs to the class of organic compounds known as isoleucine and derivatives. Isoleucine and derivatives are compounds containing isoleucine or a derivative thereof resulting from reaction of isoleucine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Based on a literature review a significant number of articles have been published on N-<(-)-jasmonoyl-(S)>-isoleucine.
Structure
SynonymsNot Available
Molecular FormulaC18H29NO4
Average Mass323.433
Monoisotopic Mass323.209658418
IUPAC Name(2S,3R)-2-({1-hydroxy-2-[(1R,2R)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl]ethylidene}amino)-3-methylpentanoic acid
Traditional Name(2S,3R)-2-({1-hydroxy-2-[(1R,2R)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl]ethylidene}amino)-3-methylpentanoic acid
CAS Registry NumberNot Available
SMILES
[H]\C(CC)=C(/[H])C[C@@]1([H])C(=O)CC[C@]1([H])CC(O)=N[C@]([H])(C(O)=O)[C@]([H])(C)CC
InChI Identifier
InChI=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+/m1/s1
InChI KeyIBZYPBGPOGJMBF-WTKQXPPDSA-N