Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:89828 - propyl propionate
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
propyl propionate
ChEBI ID
CHEBI:89828
Definition
A propanoate ester resulting from the formal condensation of the hydroxy group of propanol with the carboxy group of propanoic acid.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
No supplier information found for this compound.
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Wikipedia
License
Aphidicolin is a tetracyclic
diterpene
antibiotic
isolated from the fungus
Cephalosporum aphidicola
with antiviral and antimitotic properties. Aphidicolin is a reversible
inhibitor
of
eukaryotic
nuclear
DNA
replication. It blocks the cell cycle at early
S phase
. It is a specific inhibitor of
DNA polymerase Alpha
and
Delta
in eukaryotic cells and in some viruses (
vaccinia
and
herpesviruses
) and an
apoptosis
inducer in
HeLa
cells. Natural aphidicolin is a secondary metabolite of the fungus
Nigrospora oryzae
.
Read full article at Wikipedia
Formula
C6H12O2
Net Charge
0
Average Mass
116.159
Monoisotopic Mass
116.08373
InChI
InChI=1S/C6H12O2/c1-3-5-8-6(7)4-2/h3-5H2,1-2H3
InChIKey
MCSINKKTEDDPNK-UHFFFAOYSA-N
SMILES
CCCOC(CC)=O
Metabolite of Species
Details
Rattus norvegicus
(NCBI:txid10116)
See:
PubMed
Homo sapiens
(NCBI:txid9606)
Found in faeces
(UBERON:0001988)
. See:
PubMed
Roles Classification
Biological Role
(s):
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (
Homo sapiens
).
rat metabolite
Any mammalian metabolite produced during a metabolic reaction in rat (
Rattus norvegicus
).
fungal metabolite
Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
Application
(s):
biomarker
A substance used as an indicator of a biological state.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
propyl propionate (
CHEBI:89828
)
has functional parent
propan-1-ol (
CHEBI:28831
)
propyl propionate (
CHEBI:89828
)
has role
biomarker (
CHEBI:59163
)
propyl propionate (
CHEBI:89828
)
has role
fungal metabolite (
CHEBI:76946
)
propyl propionate (
CHEBI:89828
)
has role
human metabolite (
CHEBI:77746
)
propyl propionate (
CHEBI:89828
)
has role
rat metabolite (
CHEBI:86264
)
propyl propionate (
CHEBI:89828
)
is a
propanoate ester (
CHEBI:36243
)
IUPAC Name
propyl propanoate
Synonyms
Sources
n-Propyl n-propionate
HMDB
n-Propyl propanoate
ChemIDplus
n-Propyl propionate
ChemIDplus
Propanoic acid, propyl ester
HMDB
Propionic acid n-propyl ester
NIST Chemistry WebBook
Propionic acid, propyl ester
HMDB
Propyl ester of propanoic acid
HMDB
propyl propanoate
UniProt
Manual Xrefs
Databases
CN101225018
Patent
HMDB0030059
HMDB
Propyl_propanoate
Wikipedia
View more database links
Registry Numbers
Types
Sources
106-36-5
CAS Registry Number
NIST Chemistry WebBook
106-36-5
CAS Registry Number
ChemIDplus
1699993
Reaxys Registry Number
Reaxys
Citations
Types
Sources
15691743
PubMed citation
Europe PMC
19555224
PubMed citation
Europe PMC
19746921
PubMed citation
Europe PMC
21970810
PubMed citation
Europe PMC
23870484
PubMed citation
Europe PMC
23991713
PubMed citation
Europe PMC
25307263
PubMed citation
Europe PMC
26375029
PubMed citation
Europe PMC
28332665
PubMed citation
Europe PMC
28686981
PubMed citation
Europe PMC
28904614
PubMed citation
Europe PMC
Last Modified
03 November 2017