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CHEBI:15724 - trimethylamine N-oxide

Default Structure
ChEBI IDCHEBI:15724
ChEBI Nametrimethylamine N-oxide
Stars
ASCII Nametrimethylamine N-oxide
DefinitionA tertiary amine oxide resulting from the oxidation of the amino group of trimethylamine.
Secondary ChEBI IDsCHEBI:9733, CHEBI:15262, CHEBI:15263, CHEBI:27126
Last Modified16 November 2020
DownloadsMolfile
FormulaC3H9NO
Net Charge0
Average Mass75.111
Monoisotopic Mass75.06841
SMILESC[N+](C)(C)[O-]
InChIInChI=1S/C3H9NO/c1-4(2,3)5/h1-3H3
InChIKeyUYPYRKYUKCHHIB-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Escherichia coli (ncbitaxon:562) - PubMed (21988831)
Roles Classification
Biological Roles:
osmolyte  A solute used by a cell under water stress to maintain cell volume.
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
trimethylamine N-oxide (CHEBI:15724) has functional parent trimethylamine (CHEBI:18139)
trimethylamine N-oxide (CHEBI:15724) has role Escherichia coli metabolite (CHEBI:76971)
trimethylamine N-oxide (CHEBI:15724) has role metabolite (CHEBI:25212)
trimethylamine N-oxide (CHEBI:15724) has role osmolyte (CHEBI:25728)
trimethylamine N-oxide (CHEBI:15724) is a tertiary amine oxide (CHEBI:134363)
trimethylamine N-oxide (CHEBI:15724) is conjugate base of hydroxytrimethylaminium (CHEBI:166856)
Incoming Relation(s)
hydroxytrimethylaminium (CHEBI:166856) is conjugate acid of trimethylamine N-oxide (CHEBI:15724)
IUPAC Name 
N,N-dimethylmethanamine oxide
Synonyms  Source
(CH3)3NOIUPAC
Me3N(+)O(-)ChEBI
Me3N(O)ChEBI
N(CH3)3OChEBI
TMAONIST Chemistry WebBook
Trimethylamine N-oxideKEGG COMPOUND
UniProt Name  Source
trimethylamine N-oxideUniProt
Manual XrefsDatabases
C01104KEGG COMPOUND
HMDB0000925HMDB
TMOPDBeChem
TRIMENTHLAMINE-N-OMetaCyc
Trimethylamine_oxideWikipedia
Registry NumbersSources
Reaxys:1734787Reaxys
Gmelin:1839Gmelin
CAS:1184-78-7KEGG COMPOUND
CAS:1184-78-7ChemIDplus
CAS:1184-78-7NIST Chemistry WebBook
Citations