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> Main
CHEBI:88964 - Butyl 2-methylbutanoate
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ChEBI Ontology
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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
)
Synonyms
Sources
alpha-Butyl 2-methylbutylate
HMDB
Butanoic acid, 2-methyl-, butyl ester
HMDB
butyl 2-methylbutanoate
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
View more database links
Registry Number
Type
Source
15706-73-7
CAS Registry Number
KEGG COMPOUND
Citation
Type
Source
23454028
PubMed citation
Europe PMC