CHEBI:179994 - Methyl 4-methylpentanoate

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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 4-methylpentanoate
ChEBI ID CHEBI:179994
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C7H14O2
Net Charge 0
Average Mass 130.187
Monoisotopic Mass 130.09938
InChI InChI=1S/C7H14O2/c1-6(2)4-5-7(8)9-3/h6H,4-5H2,1-3H3
InChIKey KBCOVKHULBZKNY-UHFFFAOYSA-N
SMILES O(C(=O)CCC(C)C)C
ChEBI Ontology
Outgoing Methyl 4-methylpentanoate (CHEBI:179994) is a fatty acid methyl ester (CHEBI:4986)
IUPAC Name
methyl 4-methylpentanoate
Manual Xrefs Databases
16113 ChemSpider
HMDB0036238 HMDB
LMFA07010953 LIPID MAPS
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Registry Number Type Source
2412-80-8 CAS Registry Number ChemIDplus