CHEBI:86973 - propyl decanoate

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ChEBI Name propyl decanoate ChEBI ID CHEBI:86973 Definition A decanoate ester obtained by the formal condensation of carboxy group of decanoic acid with propanol. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C13H26O2 Net Charge 0 Average Mass 214.34430 Monoisotopic Mass 214.19328 InChI InChI=1S/C13H26O2/c1-3-5-6-7-8-9-10-11-13(14)15-12-4-2/h3-12H2,1-2H3 InChIKey OVFMRFMJVFDSAA-UHFFFAOYSA-N SMILES CCCCCCCCCC(=O)OCCC Metabolite of Species Details Saccharomyces cerevisiae (NCBI:txid4932) See: PubMed Roles Classification Biological Role(s): Saccharomyces cerevisiae metabolite Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ). View more via ChEBI Ontology ChEBI Ontology Outgoing propyl decanoate (CHEBI:86973) has functional parent decanoic acid (CHEBI:30813) propyl decanoate (CHEBI:86973) has functional parent propan-1-ol (CHEBI:28831) propyl decanoate (CHEBI:86973) has role Saccharomyces cerevisiae metabolite (CHEBI:75772) propyl decanoate (CHEBI:86973) is a decanoate ester (CHEBI:87658) IUPAC Name propyl decanoate Synonyms Sources decanoic acid propyl ester ChEBI n-Propyl decanoate NIST Chemistry WebBook Propyl caprate NIST Chemistry WebBook Manual Xrefs Databases HMDB0059900 HMDB YMDB01364 YMDB View more database links Registry Numbers Types Sources 1767768 Reaxys Registry Number Reaxys 30673-60-0 CAS Registry Number NIST Chemistry WebBook 30673-60-0 CAS Registry Number ChemIDplus Citation Type Source 2687322 PubMed citation Europe PMC Last Modified 03 September 2015