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CHEBI:15710 - betaine aldehyde

ChEBI IDCHEBI:15710
ChEBI Namebetaine aldehyde
Stars
DefinitionA quaternary ammonium ion that is nitrogen substituted by three methyl groups and a 2-oxoethyl group. It is an intermediate in the metabolism of amino acids like glycine, serine and threonine.
Secondary ChEBI IDsCHEBI:3074, CHEBI:13896, CHEBI:22859, CHEBI:41256
Last Modified27 January 2016
DownloadsMolfile
FormulaC5H12NO
Net Charge+1
Average Mass102.157
Monoisotopic Mass102.09134
SMILES[H]C(=O)C[N+](C)(C)C
InChIInChI=1S/C5H12NO/c1-6(2,3)4-5-7/h5H,4H2,1-3H3/q+1
InChIKeySXKNCCSPZDCRFD-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Aspergillus fumigatus (ncbitaxon:746128) - PubMed (23563483)
Escherichia coli (ncbitaxon:562)
- PubMed (12467448)
- PubMed (21988831)
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Biological Roles:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Aspergillus metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
ChEBI Ontology
Outgoing Relation(s)
betaine aldehyde (CHEBI:15710) has role Aspergillus metabolite (CHEBI:76956)
betaine aldehyde (CHEBI:15710) has role Escherichia coli metabolite (CHEBI:76971)
betaine aldehyde (CHEBI:15710) has role human metabolite (CHEBI:77746)
betaine aldehyde (CHEBI:15710) has role mouse metabolite (CHEBI:75771)
betaine aldehyde (CHEBI:15710) has role plant metabolite (CHEBI:76924)
betaine aldehyde (CHEBI:15710) is a quaternary ammonium ion (CHEBI:35267)
IUPAC Name 
N,N,N-trimethyl-2-oxoethanaminium
Synonyms  Source
Betaine aldehydeKEGG COMPOUND
BETAINE ALDEHYDEPDBeChem
glycine betaine aldehydeChEBI
UniProt Name  Source
betaine aldehydeUniProt
Manual XrefsDatabases
C00576KEGG COMPOUND
C00576KEGG COMPOUND
BTLPDBeChem
DB04401DrugBank
Betaine_aldehydeWikipedia
HMDB0001252HMDB
Registry NumbersSources
Reaxys:1748566Reaxys
CAS:7418-61-3ChemIDplus
CAS:7418-61-3KEGG COMPOUND
Citations