Trimethylamine oxide
PubChem CID: 1145
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| Compound Synonyms | TRIMETHYLAMINE N-OXIDE, Trimethylamine oxide, 1184-78-7, N,N-dimethylmethanamine oxide, Triox, TMAO, Trimethyloxamine, Methanamine, N,N-dimethyl-, N-oxide, trimethylamine-N-oxide, TMANO, N,N-Dimethylmethanamine N-oxide, Trimethylamine, N-oxide, TRIMETHYLAMINE N-OXIDE HYDROCHLORIDE, Trimethylaminoxid, trimethylamineoxide, (CH3)3NO, FLD0K1SJ1A, N(CH3)3O, Trimethylamine N-oxide anhydrous, MFCD00002048, NSC-408426, N,N-dimethylmethanamine oxide (IUPAC), TMAe, EINECS 214-675-6, UNII-FLD0K1SJ1A, NSC 408426, AI3-60110, trimethylaminoxide, TMA-oxide, Trimethlamine-N-oxide, 85408-49-7, trimethyl-oxido-ammonium, TRIMENTHLAMINE-N-O, bmse000426, Me3N(O), Trimethylamine-N-oxide (TMAO), DTXSID8049678, FEMA NO. 4245, Trimethylamine, N-oxide (8CI), CHEBI:15724, UYPYRKYUKCHHIB-UHFFFAOYSA-, N,N-Dimethyl-methanamine-N-oxide, TRIMETHYLAMINE N-OXIDE HCL, Me3N(+)O(-), Methanamine,N-dimethyl-, N-oxide, TRIMETHYLAMINE OXIDE [FHFI], TRIMETHYLAMINE N-OXIDE [MI], NSC408426, AKOS015917746, FT15235, AS-62713, SY112165, DB-061286, HY-116084, CS-0063748, NS00021547, T0466, T1362, A11929, C01104, EN300-396337, InChI=1/C3H9NO/c1-4(2,3)5/h1-3H3, A803941, Q419802 |
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| Topological Polar Surface Area | 18.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 5.0 |
| 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. TMAO is an osmolyte that the body will use to counter-act the effects of increased concentrations of urea (due to kidney failure) and can be used as a biomarker for kidney problems. Fish odor syndrome or trimethylaminuria is a defect in the production of the enzyme flavin containing monooxygenase 3 (FMO3) causing incomplete breakdown of trimethylamine from choline-containing food into trimethylamine oxide. Trimethylamine then builds up and is released in the person's sweat, urine, and breath, giving off a strong fishy odor., Trimethylamine N-oxide, also known by several other names and acronyms, is the organic compound with the formula (CH3)3NO. This colorless solid is usually encountered as the dihydrate. It is an oxidation product of trimethylamine and a common metabolite in animals. It is an osmolyte found in saltwater fish, sharks and rays, molluscs, and crustaceans. Along with free amino acids, it reduces the 3% salinity of seawater to about 1% of dissolved solids inside cells. TMAO decomposes to trimethylamine (TMA), which is the main odorant that is characteristic of degrading seafood., Trimethylaminuria is a defect in the production of the enzyme flavin containing monooxygenase 3 (FMO3),, causing incomplete breakdown of trimethylamine from choline-containing food into trimethylamine oxide. Trimethylamine then builds up and is released in the person's sweat, urine, and breath, giving off a strong fishy odor. Urinary TMAO is a biomarker for the consumption of fish, especially cold-water fish. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 28.4 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | N,N-dimethylmethanamine oxide |
| Prediction Hob | 0.0 |
| Class | Amines |
| Xlogp | -0.3 |
| Superclass | Organonitrogen compounds |
| Subclass | Amine oxides and derivatives |
| Molecular Formula | C3H9NO |
| Prediction Swissadme | 0.0 |
| Inchi Key | UYPYRKYUKCHHIB-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -2.874 |
| Rotatable Bond Count | 0.0 |
| State | Solid |
| Logd | -0.504 |
| Synonyms | (CH3)3NO, Me3N(+)O(-), Me3N(O), Methanamine, n,n-dimethyl-, n-oxide, N,n-dimethylmethanamine n-oxide, N,n-dimethylmethanamine oxide, N,n-dimethylmethanamine oxide (iupac), N(CH3)3O, Tma-oxide, Tmano, TMAO, Trimenthlamine-n-o, Trimethylamine n-oxide, Trimethylamine n-oxide dihydrate, Trimethylamine-n-oxide, Trimethylamine, n-oxide, Trimethylamine, N-oxide (8CI), Trimethylaminoxid, Trimethylammonium oxide, Trimethyloxamine, Triox |
| Substituent Name | Trisubstituted n-oxide, Hydrocarbon derivative, Organic salt, Organic cation, Aliphatic acyclic compound |
| Compound Name | Trimethylamine oxide |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 75.0684 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 75.0684 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 75.11 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.12298819999999999 |
| Inchi | InChI=1S/C3H9NO/c1-4(2,3)5/h1-3H3 |
| Smiles | C[N+](C)(C)[O-] |
| Nring | 9.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Carissa Edulis (Plant) Rel Props:Source_db:cmaup_ingredients