Terminology Service for NFDI4Health
isoamyl isobutyrate
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http://purl.obolibrary.org/obo/CHEBI_87537
A fatty acid ester obtained by the formal condensation of isoamylol with isobutyric acid.
Term info
Label
isoamyl isobutyrate
Synonyms
- 3-methylbutyl 2-methylpropanoate
Subsets
3_STAR
charge
0
formula
C9H18O2
has obo namespace
chebi_ontology
has related synonym
isopentyl 2-methylpropanoate, isopentyl isobutyrate, isoamyl 2-methylpropanoate
id
CHEBI:87537
inchi
InChI=1S/C9H18O2/c1-7(2)5-6-11-9(10)8(3)4/h7-8H,5-6H2,1-4H3
inchikey
VFTGLSWXJMRZNB-UHFFFAOYSA-N
mass
158.23800
monoisotopicmass
158.13068
smiles
CC(C)CCOC(=O)C(C)C
Term relations
Subclass of:
- fatty acid ester
- has functional parent some isobutyric acid
- has functional parent some isoamylol
- has role some metabolite