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CHEBI:86973 - propyl decanoate

ChEBI IDCHEBI:86973
ChEBI Namepropyl decanoate
Stars
DefinitionA decanoate ester obtained by the formal condensation of carboxy group of decanoic acid with propanol.
Last Modified3 September 2015
Submitternamrata
DownloadsMolfile
FormulaC13H26O2
Net Charge0
Average Mass214.349
Monoisotopic Mass214.19328
SMILESCCCCCCCCCC(=O)OCCC
InChIInChI=1S/C13H26O2/c1-3-5-6-7-8-9-10-11-13(14)15-12-4-2/h3-12H2,1-2H3
InChIKeyOVFMRFMJVFDSAA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Saccharomyces cerevisiae (ncbitaxon:4932) - PubMed (2687322)
Roles Classification
Biological Role:
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
ChEBI Ontology
Outgoing Relation(s)
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  Source
n-Propyl decanoateNIST Chemistry WebBook
Propyl caprateNIST Chemistry WebBook
decanoic acid propyl esterChEBI
Manual XrefsDatabases
HMDB0059900HMDB
YMDB01364YMDB
Registry NumbersSources
Reaxys:1767768Reaxys
CAS:30673-60-0NIST Chemistry WebBook
CAS:30673-60-0ChemIDplus
Citations