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> Main
CHEBI:74096 - caproylcholine
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ChEBI Ontology
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ChEBI Name
caproylcholine
ChEBI ID
CHEBI:74096
Definition
An acylcholine with an acyl group that is hexanoyl.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C11H24NO2
Net Charge
+1
Average Mass
202.31380
Monoisotopic Mass
202.18016
InChI
InChI=1S/C11H24NO2/c1-5-6-7-8-11(13)14-10-9-12(2,3)4/h5-10H2,1-4H3/q+1
InChIKey
FKJUAGXPCITGLZ-UHFFFAOYSA-N
SMILES
CCCCCC(=O)OCC[N+](C)(C)C
Roles Classification
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
caproylcholine (
CHEBI:74096
)
has functional parent
hexanoic acid (
CHEBI:30776
)
caproylcholine (
CHEBI:74096
)
has role
metabolite (
CHEBI:25212
)
caproylcholine (
CHEBI:74096
)
is a
acylcholine (
CHEBI:35287
)
IUPAC Name
2-(hexanoyloxy)-
N
,
N
,
N
-trimethylethanaminium
Synonyms
Sources
Hexanoylcholine
ChemIDplus
O
-hexanoylcholine
ChEBI
Manual Xref
Database
HMDB0013224
HMDB
View more database links
Registry Numbers
Types
Sources
16639-00-2
CAS Registry Number
ChemIDplus
1783133
Reaxys Registry Number
Reaxys
Last Modified
19 September 2013