| Record Information |
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| Version | 1.0 |
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| Creation date | 2018-04-16 08:37:04 UTC |
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| Update date | 2018-04-17 10:36:24 UTC |
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| FoodComEx ID | PC001124 |
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| FoodDB Record | FDB010413 |
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| Chemical Information |
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| Name | Trimethylamine oxide |
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| Description | Trimethylamine N-oxide (TMAO) is an oxidation product of trimethylamine and a common metabolite in animals and humans. TMAO decomposes to trimethylamine (TMA), which is the main odorant that is characteristic of degrading seafood. This colorless solid is usually encountered as the dihydrate. Urinary TMAO has been proposed as a biomarker for the consumption of fish, especially cold-water fish. |
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| CAS Number | 1184-78-7 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| (CH3)3NO | biospider | | Me3N(+)O(-) | ChEBI | | Me3N(O) | ChEBI | | Methanamine, n,n-dimethyl-, n-oxide | biospider | | N,n-dimethylmethanamine n-oxide | biospider | | N,n-dimethylmethanamine oxide | biospider | | N,n-dimethylmethanamine oxide (iupac) | biospider | | N(CH3)3O | biospider | | Tma-oxide | biospider | | Tmano | biospider | | TMAO | biospider | | Trimenthlamine-n-o | biospider | | Trimethylamine n-oxide | biospider | | Trimethylamine n-oxide dihydrate | biospider | | Trimethylamine-n-oxide | biospider | | Trimethylamine, n-oxide | biospider | | Trimethylamine, N-oxide (8CI) | biospider | | Trimethylaminoxid | biospider | | Trimethylammonium oxide | biospider | | Trimethyloxamine | biospider | | Triox | biospider |
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| Chemical Formula | C3H9NO |
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| IUPAC name | N,N-dimethylmethanamine oxide |
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| InChI Identifier | InChI=1S/C3H9NO/c1-4(2,3)5/h1-3H3 |
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| InChI Key | UYPYRKYUKCHHIB-UHFFFAOYSA-N |
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| Isomeric SMILES | C[N+](C)(C)[O-] |
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| Average Molecular Weight | 75.1097 |
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| Monoisotopic Molecular Weight | 75.068413915 |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as trialkyl amine oxides. These are hydrocarbyl derivatives of the aminoxide anion, with the general formula R3N+[O-] or R3N=O, where R is an alkyl group. |
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| Kingdom | Organic compounds |
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| Super Class | Organic nitrogen compounds |
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| Class | Organonitrogen compounds |
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| Sub Class | Aminoxides |
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| Direct Parent | Trialkyl amine oxides |
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| Alternative Parents | |
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| Substituents | - Trialkyl amine oxide
- Trisubstituted n-oxide
- N-oxide
- Organic oxygen compound
- Organopnictogen compound
- Organic oxide
- Hydrocarbon derivative
- Aliphatic acyclic compound
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| Molecular Framework | Aliphatic acyclic compounds |
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| External Descriptors | |
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| Physico-Chemical Properties - Experimental |
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| Property | Value | Reference |
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| Experimental logP | Not Available | |
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| Experimental Water Solubility | Not Available | |
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| Melting Point | 95-99 oC | |
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| Foods of Origin |
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| Fish |
| Production Data |
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| Production Method | commercial |
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| Production Method Reference | Not Available |
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| Production Method Reference File | Not Available |
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| Quantity Available | 1 to 5 mg |
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| Delivery Time | 2 weeks |
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| Storage Form | powder |
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| Storage Conditions | RT |
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| Stability | Not Available |
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| Purity | >98% |
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| Spectra |
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| Spectral Data Upon Request | Not Available |
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| Provider Information |
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| Contact Name | Contact Institution | Contact Email |
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| Claudine Manach | INRAE, Human Nutrition, Research Center Clermont-Auvergne-Rhône-Alpes, Clermont-Ferrand, FR, F-63122 | claudine.manach@inra.fr |
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| Commercial Vendors |
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| AKSci | 9161AJ |
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| Cayman Chemical | 17354 |
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