Trigonelline HCl (CHEBI:229203)

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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	Trigonelline HCl

ChEBI ID	CHEBI:229203

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C7H8NO2.Cl

Net Charge

Average Mass

173.600

Monoisotopic Mass

173.02436

InChI

InChI=1S/C7H7NO2.ClH/c1-8-4-2-3-6(5-8)7(9)10;/h2-5H,1H3;1H

InChIKey

TZSYLWAXZMNUJB-UHFFFAOYSA-N

SMILES

[Cl-].OC(=O)C1=C[N+](=CC=C1)C

Metabolite of Species	Details
Zea mays (NCBI:txid4577)	Found in exometabolome See: MetaboLights Study

ChEBI Ontology
Outgoing	Trigonelline HCl (CHEBI:229203) is a citraconoyl group (CHEBI:23315)

IUPAC Name

1-methylpyridin-1-ium-3-carboxylic acid;chloride