CHEBI:88964 - Butyl 2-methylbutanoate

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ChEBI Name Butyl 2-methylbutanoate
ChEBI ID CHEBI:88964
Stars This entity has been manually annotated by a third party.
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Formula C9H18O2
Net Charge 0
Average Mass 158.238
Monoisotopic Mass 158.13068
InChI InChI=1S/C9H18O2/c1-4-6-7-11-9(10)8(3)5-2/h8H,4-7H2,1-3H3
InChIKey OTKQNSSMCDLVQV-UHFFFAOYSA-N
SMILES CCCCOC(C(C)CC)=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in faeces (UBERON:0001988). See: PubMed
ChEBI Ontology
Outgoing Butyl 2-methylbutanoate (CHEBI:88964) is a fatty acid ester (CHEBI:35748)
IUPAC Name
butyl 2-methylbutanoate
Synonyms Sources
alpha-Butyl 2-methylbutylate HMDB
Butanoic acid, 2-methyl-, butyl ester HMDB
Butyl 2-methylbutyrate HMDB
BUTYL-2-METHYLBUTYRATE HMDB
Butyric acid, 2-methyl-, butyl ester HMDB
FEMA 3393 HMDB
N-Butyl 2-methyl butyrate HMDB
N-Butyl 2-methylbutyrate HMDB
N-Butyl-2-methylbutyrate HMDB
Manual Xref Database
HMDB0039216 HMDB
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Registry Number Type Source
15706-73-7 CAS Registry Number KEGG COMPOUND
Citation Waiting for Citations Type Source
23454028 PubMed citation Europe PMC