CHEBI:173671 - 1-Methyl-2-oxopropyl butyrate

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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 1-Methyl-2-oxopropyl butyrate
ChEBI ID CHEBI:173671
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C8H14O3
Net Charge 0
Average Mass 158.197
Monoisotopic Mass 158.09429
InChI InChI=1S/C8H14O3/c1-4-5-8(10)11-7(3)6(2)9/h7H,4-5H2,1-3H3
InChIKey LJDWJXUIGKSETE-UHFFFAOYSA-N
SMILES O(C(C)C(=O)C)C(=O)CCC
ChEBI Ontology
Outgoing 1-Methyl-2-oxopropyl butyrate (CHEBI:173671) is a fatty acid ester (CHEBI:35748)
IUPAC Name
3-oxobutan-2-yl butanoate
Manual Xrefs Databases
461248 ChemSpider
HMDB0036230 HMDB
LMFA07010711 LIPID MAPS
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Registry Number Type Source
84642-61-5 CAS Registry Number ChemIDplus