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> Main
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.
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This entity has been manually annotated by the ChEBI Team.
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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