3,4-dimethylthiophene (CHEBI:89511)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	3,4-dimethylthiophene

ChEBI ID	CHEBI:89511

Definition	A thiophene that is substituted by methyl groups at positions 3 and 4.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C6H8S

Net Charge

Average Mass

112.190

Monoisotopic Mass

112.03467

InChI

InChI=1S/C6H8S/c1-5-3-7-4-6(5)2/h3-4H,1-2H3

InChIKey

GPSFYJDZKSRMKZ-UHFFFAOYSA-N

SMILES

CC1=CSC=C1C

Metabolite of Species	Details
Allium atroviolaceum (NCBI:txid165604)	See: PubMed
Glycine max (NCBI:txid3847)	See: PubMed
Toona sinensis (NCBI:txid443222)	See: DOI
Allium cepa (NCBI:txid4679)	Found in bulb (BTO:0000159). See: PubMed
Allium sativum (NCBI:txid4682)	See: PubMed
Homo sapiens (NCBI:txid9606)	Found in urine (BTO:0001419). See: PubMed

Roles Classification
Biological Role(s):	flavouring agent A food additive that is used to added improve the taste or odour of a food. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. human urinary metabolite Any metabolite (endogenous or exogenous) found in human urine samples.

Application(s):	flavouring agent A food additive that is used to added improve the taste or odour of a food.

ChEBI Ontology
Outgoing	3,4-dimethylthiophene (CHEBI:89511) has role flavouring agent (CHEBI:35617) 3,4-dimethylthiophene (CHEBI:89511) has role human urinary metabolite (CHEBI:84087) 3,4-dimethylthiophene (CHEBI:89511) has role plant metabolite (CHEBI:76924) 3,4-dimethylthiophene (CHEBI:89511) is a thiophenes (CHEBI:26961)

IUPAC Name

3,4-dimethylthiophene

Last Modified

10 February 2022