Diethyl (5-methyl-3-oxo-2-hexanyl)malonate (CHEBI:188828)

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CHEBI:188828 - Diethyl (5-methyl-3-oxo-2-hexanyl)malonate

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ChEBI ID	CHEBI:188828
ChEBI Name	Diethyl (5-methyl-3-oxo-2-hexanyl)malonate
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C14H24O5
Net Charge	0
Average Mass	272.341
Monoisotopic Mass	272.16237
SMILES	CCOC(=O)C(C(=O)OCC)C(C)C(=O)CC(C)C
InChI	InChI=1S/C14H24O5/c1-6-18-13(16)12(14(17)19-7-2)10(5)11(15)8-9(3)4/h9-10,12H,6-8H2,1-5H3
InChIKey	PADPRTXRVKVJEZ-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Phyllostachys violascens (ncbitaxon:1903417)	stem (BTO:0001300)	MetaboLights (MTBLS3970)	Strain: Phyllostachys violascens cv. Viridisulcata

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	Diethyl (5-methyl-3-oxo-2-hexanyl)malonate (CHEBI:188828) is a oxo carboxylic acid (CHEBI:25754)

IUPAC Name
diethyl 2-(5-methyl-3-oxohexan-2-yl)propanedioate

Manual Xrefs	Databases
24603677	ChemSpider