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:87299 - ethyl 5-hexenoate
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
ethyl 5-hexenoate
ChEBI ID
CHEBI:87299
Definition
The fatty acid ethyl ester of 5-hexenoic acid.
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
C8H14O2
Net Charge
0
Average Mass
142.19560
Monoisotopic Mass
142.09938
InChI
InChI=1S/C8H14O2/c1-3-5-6-7-8(9)10-4-2/h3H,1,4-7H2,2H3
InChIKey
RJLJOXJZWMGEFD-UHFFFAOYSA-N
SMILES
CCOC(=O)CCCC=C
Roles Classification
Biological Role
(s):
flavouring agent
A food additive that is used to added improve the taste or odour of a food.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application
(s):
flavouring agent
A food additive that is used to added improve the taste or odour of a food.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
ethyl 5-hexenoate (
CHEBI:87299
)
has role
flavouring agent (
CHEBI:35617
)
ethyl 5-hexenoate (
CHEBI:87299
)
has role
metabolite (
CHEBI:25212
)
ethyl 5-hexenoate (
CHEBI:87299
)
is a
fatty acid ethyl ester (
CHEBI:78206
)
IUPAC Name
ethyl hex-5-enoate
Synonym
Source
5-(ethoxycarbonyl)-1-pentene
ChEBI
Manual Xref
Database
WO0113742
Patent
View more database links
Registry Number
Type
Source
1750177
Reaxys Registry Number
Reaxys
Citation
Type
Source
IND43653800
Agricola citation
Europe PMC
Last Modified
02 September 2015