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CHEBI:18020 - 4-trimethylammoniobutanal

ChEBI IDCHEBI:18020
ChEBI Name4-trimethylammoniobutanal
Stars
Secondary ChEBI IDsCHEBI:1940, CHEBI:12046, CHEBI:20483
Last Modified22 December 2016
DownloadsMolfile
FormulaC7H16NO
Net Charge+1
Average Mass130.211
Monoisotopic Mass130.12264
SMILES[H]C(=O)CCC[N+](C)(C)C
InChIInChI=1S/C7H16NO/c1-8(2,3)6-4-5-7-9/h7H,4-6H2,1-3H3/q+1
InChIKeyOITBLCDWXSXNCN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Biological Roles:
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).
ChEBI Ontology
Outgoing Relation(s)
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
Synonym  Source
4-TrimethylammoniobutanalKEGG COMPOUND
UniProt Name  Source
4-(trimethylamino)butanalUniProt
Manual XrefsDatabases
C01149KEGG COMPOUND
C01149KEGG COMPOUND
Registry NumbersSources
CAS:64595-66-0Beilstein