CHEBI:87570 - isobutyl decanoate

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ChEBI Name isobutyl decanoate
ChEBI ID CHEBI:87570
Definition A decanoate ester obtained by the formal condensation of the carboxy group of decanoc acid (capric acid) with the alcoholic hydroxy group of isobutanol.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C14H28O2
Net Charge 0
Average Mass 228.371
Monoisotopic Mass 228.20893
InChI InChI=1S/C14H28O2/c1-4-5-6-7-8-9-10-11-14(15)16-12-13(2)3/h13H,4-12H2,1-3H3
InChIKey AXTPGRJJIGEOOY-UHFFFAOYSA-N
SMILES O(C(CCCCCCCCC)=O)CC(C)C
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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ChEBI Ontology
Outgoing isobutyl decanoate (CHEBI:87570) has functional parent isobutanol (CHEBI:46645)
isobutyl decanoate (CHEBI:87570) has role metabolite (CHEBI:25212)
isobutyl decanoate (CHEBI:87570) is a decanoate ester (CHEBI:87658)
IUPAC Name
2-methylpropyl decanoate
Synonyms Sources
Isobutyl decanoate NIST Chemistry WebBook
n-Capric acid isobutyl ester NIST Chemistry WebBook
Manual Xref Database
HMDB0059865 HMDB
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Registry Numbers Types Sources
30673-38-2 CAS Registry Number NIST Chemistry WebBook
30673-38-2 CAS Registry Number ChemIDplus
8320376 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
4055952 PubMed citation Europe PMC
Last Modified
03 September 2015