CHEBI:89724 - Pentyl 3-methylbutanoate

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ChEBI Name Pentyl 3-methylbutanoate
ChEBI ID CHEBI:89724
Stars This entity has been manually annotated by a third party.
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Formula C10H20O2
Net Charge 0
Average Mass 172.265
Monoisotopic Mass 172.14633
InChI InChI=1S/C10H20O2/c1-4-5-6-7-12-10(11)8-9(2)3/h9H,4-8H2,1-3H3
InChIKey QURFFFCYNQXLCU-UHFFFAOYSA-N
SMILES CCCCCOC(CC(C)C)=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in faeces (UBERON:0001988). See: PubMed
ChEBI Ontology
Outgoing Pentyl 3-methylbutanoate (CHEBI:89724) is a fatty acid ester (CHEBI:35748)
IUPAC Name
pentyl 3-methylbutanoate
Synonyms Sources
1-Pentyl isovalerate HMDB
Amyl isovalerate HMDB
Butanoic acid, 3-methyl-, pentyl ester HMDB
Isovaleric acid, pentyl ester HMDB
Isovaleric acid, pentyl ester (8CI) HMDB
N-Amyl isovalerate HMDB
Pentyl 3-methylbutyrate HMDB
Pentyl isovalerate HMDB
Manual Xref Database
HMDB0032045 HMDB
View more database links
Registry Number Type Source
25415-62-7 CAS Registry Number KEGG COMPOUND
Citation Waiting for Citations Type Source
23454028 PubMed citation Europe PMC