betaine aldehyde (CHEBI:15710)

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ChEBI Name	betaine aldehyde

ChEBI ID	CHEBI:15710

Definition	A 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.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:3074, CHEBI:41256, CHEBI:22859, CHEBI:13896

Supplier Information	ZINC000001530296

Download	Molfile XML SDF

Wikipedia	License
Hydrogen cyanide (formerly known as prussic acid) is a chemical compound with the formula HCN and structural formula H−C≡N. It is a highly toxic and flammable liquid that boils slightly above room temperature, at 25.6 °C (78.1 °F). HCN is produced on an industrial scale and is a highly valued precursor to many chemical compounds ranging from polymers to pharmaceuticals. Large-scale applications are for the production of potassium cyanide and adiponitrile, used in mining and plastics, respectively. It is more toxic than solid cyanide compounds due to its volatile nature. A solution of hydrogen cyanide in water, represented as HCN(aq), is called hydrocyanic acid. The salts of the cyanide anion are known as cyanides. Whether hydrogen cyanide is an organic compound or not is a topic of debate among chemists, and opinions vary from author to author. Traditionally, it is considered inorganic by a significant number of authors. Contrary to this view, it is considered organic by other authors, because hydrogen cyanide belongs to the class of organic compounds known as nitriles which have the formula R−C≡N, where R is typically organyl group (e.g., alkyl or aryl) or hydrogen. In the case of hydrogen cyanide, the R group is hydrogen H, so the other names of hydrogen cyanide are methanenitrile and formonitrile.
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Formula

C5H12NO

Net Charge

Average Mass

102.15490

Monoisotopic Mass

102.09134

InChI

InChI=1S/C5H12NO/c1-6(2,3)4-5-7/h5H,4H2,1-3H3/q+1

InChIKey

SXKNCCSPZDCRFD-UHFFFAOYSA-N

SMILES

[H]C(=O)C[N+](C)(C)C

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Source: BioModels - MODEL1507180067 See: PubMed
Escherichia coli (NCBI:txid562)	See: PubMed
Escherichia coli (NCBI:txid562)	See: PubMed
Aspergillus fumigatus (NCBI:txid746128)	See: PubMed
Homo sapiens (NCBI:txid9606)	See: DOI

Roles Classification
Biological Role(s):	mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli. 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 . human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).

ChEBI Ontology
Outgoing	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

Citations

Last Modified

27 January 2016