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CHEBI:89511 - 3,4-dimethylthiophene
| Formula | C6H8S |
| Net Charge | 0 |
| Average Mass | 112.197 |
| Monoisotopic Mass | 112.03467 |
| SMILES | Cc1cscc1C |
| InChI | InChI=1S/C6H8S/c1-5-3-7-4-6(5)2/h3-4H,1-2H3 |
| InChIKey | GPSFYJDZKSRMKZ-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | urine (BTO:0001419) | PubMed (24023812) | |
| Toona sinensis (ncbitaxon:443222) | - | DOI (10.1016/j.lwt.2020.109549) | |
| Glycine max (ncbitaxon:3847) | - | PubMed (34970286) | |
| Allium atroviolaceum (ncbitaxon:165604) | - | PubMed (34885755) | |
| Allium sativum (ncbitaxon:4682) | - | PubMed (25371585) | |
| Allium cepa (ncbitaxon:4679) | bulb (BTO:0000159) | PubMed (31205349) |
| Roles Classification |
|---|
| Biological Roles: | human urinary metabolite Any metabolite (endogenous or exogenous) found in human urine samples. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. flavouring agent A food additive that is used to added improve the taste or odour of a food. |
| Application: | flavouring agent A food additive that is used to added improve the taste or odour of a food. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 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 |
| Synonyms | Source |
|---|---|
| 3,4-dimethyl-thiophene | HMDB |
| FEMA 4645 | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| HMDB0032980 | HMDB |
| FDB010967 | FooDB |
| C00052140 | KNApSAcK |
| Citations |
|---|