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Record Information
StatusExpected but not Quantified
Creation Date2012-09-11 21:44:28 UTC
Update Date2021-09-14 15:46:44 UTC
Secondary Accession Numbers
  • HMDB36583
Metabolite Identification
Common NameMethyl jasmonate
DescriptionMethyl jasmonate, also known as fema 3410, belongs to the class of organic compounds known as jasmonic acids. These are lipids containing or derived from a jasmonic acid, with a structure characterized by the presence of an alkene chain linked to a 2-(3-oxocyclopentyl)acetic acid moiety. Methyl jasmonate is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral.
3-oxo-2-(2-Pentenyl)cyclopentaneacetic acid methyl esterChEBI
Methyl (-)-jasmonateChEBI
(-)-Methyl jasmonateKegg
3-oxo-2-(2-Pentenyl)cyclopentaneacetate methyl esterGenerator
Methyl (-)-jasmonic acidGenerator
(-)-Methyl jasmonic acidGenerator
Methyl jasmonic acidGenerator
(-)-Jasmonic acid methyl esterHMDB
(3R,7R)-Methyl jasmonateHMDB
Jasmonic acid methyl esterHMDB
Methyl (2-pent-2-enyl-3-oxo-1-cyclopentyl)acetateHMDB
Methyl 3-oxo-2-(2-pentenyl)cyclopentaneacetateHMDB
Methyl cis-jasmonateHMDB
Z-Methyl jasmonoateHMDB
Methyl epijasmonateHMDB
Chemical FormulaC13H20O3
Average Molecular Weight224.2961
Monoisotopic Molecular Weight224.141244506
IUPAC Namemethyl 2-[(1R,2R)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl]acetate
Traditional Name(-)-methyl jasmonate
CAS Registry Number1211-29-6
InChI Identifier
Chemical Taxonomy
Description Belongs to the class of organic compounds known as jasmonic acids. These are lipids containing or derived from a jasmonic acid, with a structure characterized by the presence of an alkene chain linked to a 2-(3-oxocyclopentyl)acetic acid moiety.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassFatty Acyls
Sub ClassLineolic acids and derivatives
Direct ParentJasmonic acids
Alternative Parents
  • Jasmonic acid
  • Methyl ester
  • Cyclic ketone
  • Ketone
  • Carboxylic acid ester
  • Monocarboxylic acid or derivatives
  • Carboxylic acid derivative
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Carbonyl group
  • Aliphatic homomonocyclic compound
Molecular FrameworkAliphatic homomonocyclic compounds
External Descriptors

Route of exposure:


Biological location:


Naturally occurring process:


Industrial application:

Biological role:

Physical Properties
Experimental Molecular Properties
Melting Point25 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Molecular Properties
Water Solubility0.17 g/LALOGPS
pKa (Strongest Basic)-6.9ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area43.37 ŲChemAxon
Rotatable Bond Count6ChemAxon
Refractivity63.33 m³·mol⁻¹ChemAxon
Polarizability25.03 ųChemAxon
Number of Rings1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Spectral Properties

Collision Cross Sections

NameAdductTypeData SourceValueReference
DarkChem[M+H]+PredictedNot Available156.84831661259
DarkChem[M-H]-PredictedNot Available149.71431661259

Retention Indices


Not Available


Not Available


Spectrum TypeDescriptionSplash KeyDeposition DateView
GC-MSGC-MS Spectrum - GC-MS (Non-derivatized)splash10-0036-6900000000-e2a3f1c368618b3e5f442014-06-16View Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-0aos-6900000000-0277b3467bce13283ff12017-09-01View Spectrum


Spectrum TypeDescriptionSplash KeyDeposition DateView
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-QTOF , negativesplash10-00di-1190000000-943fc4cad10af285a2be2017-09-14View Spectrum
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-QTOF , negativesplash10-002b-6910000000-b3add72153d54084414b2017-09-14View Spectrum
LC-MS/MSLC-MS/MS Spectrum - 30V, Negativesplash10-002b-6910000000-b3add72153d54084414b2021-09-20View Spectrum
LC-MS/MSLC-MS/MS Spectrum - 30V, Positivesplash10-002b-6910000000-f1bcd33a3f20473d55ab2021-09-20View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-004l-1950000000-3c4a847eb81b54960c7b2016-08-01View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-05rr-9710000000-500c8cdfcf8ef9dc46d12016-08-01View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0f9x-9100000000-6ebb500b1e7a59d8c7e82016-08-01View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-00di-0490000000-c565f5ccca764f993aa02016-08-03View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-00dl-4980000000-9c08c7091ed7d3a39d472016-08-03View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-006x-8900000000-0e54fbfd7224fd3d6d2f2016-08-03View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0kea-2940000000-29e9828c7230abaacf6b2021-09-08View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-053s-6900000000-04d6ddc8ffb62ec14cd62021-09-08View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-057l-9100000000-f913cbf151b98b42e7a82021-09-08View Spectrum
Biological Properties
Cellular Locations
  • Extracellular
  • Membrane
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB015494
KNApSAcK IDC00000219
Chemspider ID4519204
KEGG Compound IDC11512
BioCyc IDCPD1F-2
BiGG IDNot Available
Wikipedia LinkMethyl_jasmonate
METLIN IDNot Available
PubChem Compound5367719
PDB IDNot Available
ChEBI ID15929
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Umukoro S, Olugbemide AS: Antinociceptive effects of methyl jasmonate in experimental animals. J Nat Med. 2011 Jul;65(3-4):466-70. doi: 10.1007/s11418-011-0520-3. Epub 2011 Mar 9. [PubMed:21387099 ]
  2. Pi Y, Liao Z, Jiang K, Huang B, Deng Z, Zhao D, Zeng H, Sun X, Tang K: Molecular cloning, characterization and expression of a jasmonate biosynthetic pathway gene encoding allene oxide cyclase from Camptotheca acuminata. Biosci Rep. 2008 Dec;28(6):349-55. doi: 10.1042/BSR20060001. [PubMed:18847436 ]
  3. Simons K, Toomre D: Lipid rafts and signal transduction. Nat Rev Mol Cell Biol. 2000 Oct;1(1):31-9. [PubMed:11413487 ]
  4. Watson AD: Thematic review series: systems biology approaches to metabolic and cardiovascular disorders. Lipidomics: a global approach to lipid analysis in biological systems. J Lipid Res. 2006 Oct;47(10):2101-11. Epub 2006 Aug 10. [PubMed:16902246 ]
  5. Sethi JK, Vidal-Puig AJ: Thematic review series: adipocyte biology. Adipose tissue function and plasticity orchestrate nutritional adaptation. J Lipid Res. 2007 Jun;48(6):1253-62. Epub 2007 Mar 20. [PubMed:17374880 ]
  6. Lingwood D, Simons K: Lipid rafts as a membrane-organizing principle. Science. 2010 Jan 1;327(5961):46-50. doi: 10.1126/science.1174621. [PubMed:20044567 ]
  7. Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.