CHEBI:18020 - 4-trimethylammoniobutanal

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ChEBI Name 4-trimethylammoniobutanal
ChEBI ID CHEBI:18020
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:1940, CHEBI:12046, CHEBI:20483
Supplier Information
Download Molfile XML SDF
Formula C7H16NO
Net Charge +1
Average Mass 130.20808
Monoisotopic Mass 130.12264
InChI InChI=1S/C7H16NO/c1-8(2,3)6-4-5-7-9/h7H,4-6H2,1-3H3/q+1
InChIKey OITBLCDWXSXNCN-UHFFFAOYSA-N
SMILES [H]C(=O)CCC[N+](C)(C)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 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).
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 4-trimethylammoniobutanal (CHEBI:18020) has role human metabolite (CHEBI:77746)
4-trimethylammoniobutanal (CHEBI:18020) has role mouse metabolite (CHEBI:75771)
4-trimethylammoniobutanal (CHEBI:18020) is a butanals (CHEBI:22939)
IUPAC Name
N,N,N-trimethyl-4-oxobutan-1-aminium
Synonyms Sources
4-(trimethylamino)butanal UniProt
4-Trimethylammoniobutanal KEGG COMPOUND
Manual Xref Database
C01149 KEGG COMPOUND
View more database links
Registry Number Type Source
64595-66-0 CAS Registry Number Beilstein
Last Modified
22 December 2016