Cinnamoylcholine (CHEBI:177040)

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ChEBI Ontology

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Cinnamoylcholine

ChEBI ID	CHEBI:177040

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C14H20NO2

Net Charge

Average Mass

234.318

Monoisotopic Mass

234.14886

InChI

InChI=1S/C14H20NO2/c1-15(2,3)11-12-17-14(16)10-9-13-7-5-4-6-8-13/h4-10H,11-12H2,1-3H3/q+1/b10-9+

InChIKey

JSIOTGHMQGLKET-MDZDMXLPSA-N

SMILES

O(CC[N+](C)(C)C)C(=O)/C=C/C1=CC=CC=C1

ChEBI Ontology
Outgoing	Cinnamoylcholine (CHEBI:177040) is a cinnamate ester (CHEBI:36087)

IUPAC Name

trimethyl-[2-[(E)-3-phenylprop-2-enoyl]oxyethyl]azanium