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> Main
CHEBI:89445 - Ethyl 4-methylpentanoate
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ChEBI Ontology
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ChEBI Name
Ethyl 4-methylpentanoate
ChEBI ID
CHEBI:89445
Stars
This entity has been manually annotated by a third party.
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Formula
C8H16O2
Net Charge
0
Average Mass
144.212
Monoisotopic Mass
144.11503
InChI
InChI=1S/C8H16O2/c1-4-10-8(9)6-5-7(2)3/h7H,4-6H2,1-3H3
InChIKey
OFQRUTMGVBMTFQ-UHFFFAOYSA-N
SMILES
CCOC(CCC(C)C)=O
Metabolite of Species
Details
Homo sapiens
(NCBI:txid9606)
Found in faeces
(UBERON:0001988)
. See:
PubMed
ChEBI Ontology
Outgoing
Ethyl 4-methylpentanoate (
CHEBI:89445
)
is a
fatty acid ester (
CHEBI:35748
)
Synonyms
Sources
ethyl 4-methylpentanoate
HMDB
Ethyl 4-methylvalerate
HMDB
Ethyl isocaproate
HMDB
Ethyl isohexanoate
HMDB
Pentanoic acid, 4-methyl-, ethyl ester
HMDB
Valeric acid, 4-methyl-, ethyl ester
HMDB
Manual Xref
Database
HMDB0032272
HMDB
View more database links
Registry Number
Type
Source
25415-67-2
CAS Registry Number
KEGG COMPOUND
Citation
Type
Source
23454028
PubMed citation
Europe PMC