Monasnicotinate A (CHEBI:199865)

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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	Monasnicotinate A

ChEBI ID	CHEBI:199865

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C21H27NO4

Net Charge

Average Mass

357.450

Monoisotopic Mass

357.19401

InChI

InChI=1S/C21H27NO4/c1-5-7-8-10-19(24)13-16(15(3)23)11-17-12-18(9-6-2)22-14-20(17)21(25)26-4/h6,9,11-12,14H,5,7-8,10,13H2,1-4H3/b9-6+,16-11+

InChIKey

RPAHYMJQVFKTRQ-KCJIIOMUSA-N

SMILES

O=C(OC)C1=C(C=C(/C=C/C)N=C1)/C=C(/C(=O)C)\CC(=O)CCCCC

Metabolite of Species	Details
Monascus (NCBI:txid5097)	See: PubMed

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	Monasnicotinate A (CHEBI:199865) is a aromatic carboxylic acid (CHEBI:33859) Monasnicotinate A (CHEBI:199865) is a pyridines (CHEBI:26421)

IUPAC Name

methyl 4-[(E)-2-acetyl-4-oxonon-1-enyl]-6-[(E)-prop-1-enyl]pyridine-3-carboxylate