CHEBI:173674 - 2-Methylpropyl 3-oxobutanoate

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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 2-Methylpropyl 3-oxobutanoate
ChEBI ID CHEBI:173674
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C8H14O3
Net Charge 0
Average Mass 158.197
Monoisotopic Mass 158.09429
InChI InChI=1S/C8H14O3/c1-6(2)5-11-8(10)4-7(3)9/h6H,4-5H2,1-3H3
InChIKey ZYXNLVMBIHVDRH-UHFFFAOYSA-N
SMILES O(CC(C)C)C(=O)CC(=O)C
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 2-Methylpropyl 3-oxobutanoate (CHEBI:173674) is a oxo carboxylic acid (CHEBI:25754)
IUPAC Name
2-methylpropyl 3-oxobutanoate
Manual Xrefs Databases
21105926 ChemSpider
HMDB0036395 HMDB
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Registry Number Type Source
7779-75-1 CAS Registry Number ChemIDplus