2-isobutylthiazole (CHEBI:133683)

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CHEBI:133683 - 2-isobutylthiazole

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ChEBI ID	CHEBI:133683
ChEBI Name	2-isobutylthiazole
Stars
Definition	A 1,3-thiazole in which the hydrogen at position 2 has been replaced by an isobutyl group. A food flavour component with a green note that adds the characteristics of ripe tomatoes. Used in blackcurrent, papaya, melon, raspberry, and roast beef flavours, it also enhances the flavour of fresh lime.
Last Modified	7 October 2016
Submitter	Gareth Owen
Downloads	Molfile

Formula	C7H11NS
Net Charge	0
Average Mass	141.239
Monoisotopic Mass	141.06122
SMILES	CC(C)Cc1nccs1
InChI	InChI=1S/C7H11NS/c1-6(2)5-7-8-3-4-9-7/h3-4,6H,5H2,1-2H3
InChIKey	CMPVUVUNJQERIT-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Cephalophus natalensis (ncbitaxon:69299)	-	PubMed (3245266)	Found in preorbital gland secretions
Sylvicapra grimmia (ncbitaxon:119562)	-	PubMed (3245266)	Found in preorbital gland secretions

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. pheromone A semiochemical used in olfactory communication between organisms of the same species eliciting a change in sexual or social behaviour.
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-isobutylthiazole (CHEBI:133683) has role flavouring agent (CHEBI:35617)
	2-isobutylthiazole (CHEBI:133683) has role Maillard reaction product (CHEBI:77523)
	2-isobutylthiazole (CHEBI:133683) has role pheromone (CHEBI:26013)
	2-isobutylthiazole (CHEBI:133683) is a 1,3-thiazoles (CHEBI:38418)

IUPAC Name
2-isobutyl-1,3-thiazole

Synonyms	Source
2-(2-methylpropyl)-1,3-thiazole	NIST Chemistry WebBook
FEMA 3134	ChEBI
FEMA No. 3134	ChemIDplus
2-(2-methylpropyl)thiazole	ChemIDplus

Manual Xrefs	Databases
HMDB0031862	HMDB
YMDB01585	YMDB

Registry Numbers	Sources
Reaxys:507823	Reaxys
CAS:18640-74-9	ChemIDplus
CAS:18640-74-9	NIST Chemistry WebBook

Citations