CHEBI:168918 - Methyl (R)-3-methyl-2-oxopentanoate

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Methyl (R)-3-methyl-2-oxopentanoate
ChEBI ID CHEBI:168918
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C7H12O3
Net Charge 0
Average Mass 144.170
Monoisotopic Mass 144.07864
InChI InChI=1S/C7H12O3/c1-4-5(2)6(8)7(9)10-3/h5H,4H2,1-3H3
InChIKey ZPSBJVARKCHQDF-UHFFFAOYSA-N
SMILES O=C(C(CC)C)C(OC)=O
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing Methyl (R)-3-methyl-2-oxopentanoate (CHEBI:168918) is a fatty acid ester (CHEBI:35748)
IUPAC Name
methyl 3-methyl-2-oxopentanoate
Manual Xrefs Databases
474461 ChemSpider
HMDB0037114 HMDB
LMFA07010933 LIPID MAPS
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Registry Number Type Source
3682-42-6 CAS Registry Number ChemIDplus