CHEBI:133219 - methyl tuberonate

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ChEBI Name methyl tuberonate
ChEBI ID CHEBI:133219
Definition A methyl ester derived from tuberonic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C13H20O4
Net Charge 0
Average Mass 240.296
Monoisotopic Mass 240.13616
InChI InChI=1S/C13H20O4/c1-17-13(16)9-10-6-7-12(15)11(10)5-3-2-4-8-14/h2-3,10-11,14H,4-9H2,1H3/b3-2-/t10-,11+/m1/s1
InChIKey XCZTYYQNVNLGKI-UZAOFVRNSA-N
SMILES C(=O)(OC)C[C@@H]1[C@@H](C(CC1)=O)C/C=C\CCO
Metabolite of Species Details
Solanum lycopersicum (NCBI:txid4081) Found in fruit (BTO:0000486). See: MetaboLights Study
Solanum lycopersicum (NCBI:txid4081) Found in fruit (BTO:0000486). See: DOI
Solanum lycopersicum (NCBI:txid4081) Found in fruit (BTO:0000486). See: MetaboLights Study
Solanum lycopersicum (NCBI:txid4081) Found in fruit (BTO:0000486). See: MetaboLights Study
Solanum lycopersicum (NCBI:txid4081) Found in fruit (BTO:0000486). See: MetaboLights Study
Solanum lycopersicum (NCBI:txid4081) Found in fruit (BTO:0000486). See: MetaboLights Study
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing methyl tuberonate (CHEBI:133219) has functional parent tuberonic acid (CHEBI:133220)
methyl tuberonate (CHEBI:133219) has role plant metabolite (CHEBI:76924)
methyl tuberonate (CHEBI:133219) is a cyclopentanones (CHEBI:36140)
methyl tuberonate (CHEBI:133219) is a homoallylic alcohol (CHEBI:134362)
methyl tuberonate (CHEBI:133219) is a methyl ester (CHEBI:25248)
methyl tuberonate (CHEBI:133219) is a primary alcohol (CHEBI:15734)
IUPAC Name
methyl {(1R,2S)-2-[(2Z)-5-hydroxypent-2-en-1-yl]-3-oxocyclopentyl}acetate
Registry Number Type Source
8267807 Reaxys Registry Number Reaxys
Last Modified
01 March 2017