2-acetyl-1-pyrroline (CHEBI:67125)

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CHEBI:67125 - 2-acetyl-1-pyrroline

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ChEBI ID	CHEBI:67125
ChEBI Name	2-acetyl-1-pyrroline
Stars
Definition	A pyrroline that is 1-pyrroline in which the hydrogen at position 2 is replaced by an acetyl group. It is an aroma and flavour compound present in jasmine rice and basmati rice. It is responsible for the 'popcorn' aroma in a large variety of cereal and food products. It is one of the key odourants of the crust of bread and considered to be responsible for the cracker-like odour properties. In bread, it is primarily generated during baking but amounts are influenced by ingredient composition and fermentation conditions.
Last Modified	26 February 2014
Submitter	Gareth Owen
Downloads	Molfile

Formula	C6H9NO
Net Charge	0
Average Mass	111.144
Monoisotopic Mass	111.06841
SMILES	CC(=O)C1=NCCC1
InChI	InChI=1S/C6H9NO/c1-5(8)6-3-2-4-7-6/h2-4H2,1H3
InChIKey	DQBQWWSFRPLIAX-UHFFFAOYSA-N

Wikipedia

Roles Classification

Chemical Role:	Maillard reaction product Any thermal degradation product obtained as a result of a chemical reaction between an amino acid and a reducing sugar (Maillard reaction, a non-enzymatic browning procedure that usually imparts flavour to starch-based food products).
Biological Roles:	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:	flavouring agent A food additive that is used to added improve the taste or odour of a food.

ChEBI Ontology

Outgoing Relation(s)
	2-acetyl-1-pyrroline (CHEBI:67125) has role flavouring agent (CHEBI:35617)
	2-acetyl-1-pyrroline (CHEBI:67125) has role Maillard reaction product (CHEBI:77523)
	2-acetyl-1-pyrroline (CHEBI:67125) has role metabolite (CHEBI:25212)
	2-acetyl-1-pyrroline (CHEBI:67125) is a acylimine (CHEBI:51516)
	2-acetyl-1-pyrroline (CHEBI:67125) is a methyl ketone (CHEBI:51867)
	2-acetyl-1-pyrroline (CHEBI:67125) is a pyrroline (CHEBI:23763)

IUPAC Name
1-(3,4-dihydro-2H-pyrrol-5-yl)ethanone

Synonyms	Source
2AP	ChEBI
2-acetyl-4,5-dihydro-3H-pyrrole	ChEBI
APR	ChEBI

Manual Xrefs	Databases
2-Acetyl-1-pyrroline	Wikipedia
US4522838	Patent

Registry Numbers	Sources
Reaxys:6321339	Reaxys

Citations