CHEBI:15743 - butanal

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ChEBI Name butanal ChEBI ID CHEBI:15743 Definition A member of the class of butanals that consists of propane bearing a formyl substituent at the 1-position. The parent of the class of butanals. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:3233, CHEBI:13923, CHEBI:22938 Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Read full article at Wikipedia Formula C4H8O Net Charge 0 Average Mass 72.10572 Monoisotopic Mass 72.05751 InChI InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3 InChIKey ZTQSAGDEMFDKMZ-UHFFFAOYSA-N SMILES [H]C(=O)CCC Metabolite of Species Details Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed Escherichia coli (NCBI:txid562) See: PubMed Roles Classification Biological Role(s): Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli. mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). Application(s): biomarker A substance used as an indicator of a biological state. View more via ChEBI Ontology ChEBI Ontology Outgoing butanal (CHEBI:15743) has role Escherichia coli metabolite (CHEBI:76971) butanal (CHEBI:15743) has role biomarker (CHEBI:59163) butanal (CHEBI:15743) has role mouse metabolite (CHEBI:75771) butanal (CHEBI:15743) is a butanals (CHEBI:22939) Incoming 4-acetamidobutanal (CHEBI:7386) has functional parent butanal (CHEBI:15743) 4-methylammoniobutanal (CHEBI:190141) has functional parent butanal (CHEBI:15743) IUPAC Name butanal Synonyms Sources 1-Butanal HMDB 1-Butanal ChemIDplus Aldehyde butyrique ChemIDplus Aldeide butirrica ChemIDplus Butal ChemIDplus Butaldehyde ChemIDplus butan-1-al HMDB Butanal KEGG COMPOUND butanal UniProt Butanaldehyde ChemIDplus Butyl aldehyde NIST Chemistry WebBook Butylaldehyde ChemIDplus Butyral ChemIDplus Butyraldehyd ChemIDplus Butyraldehyde KEGG COMPOUND Butyric aldehyde ChemIDplus Butyrylaldehyde NIST Chemistry WebBook n-Butanal NIST Chemistry WebBook n-Butyl aldehyde NIST Chemistry WebBook n-Butyraldehyde NIST Chemistry WebBook n-C3H7CHO NIST Chemistry WebBook Manual Xrefs Databases Butanal Wikipedia BUTANAL MetaCyc C01412 KEGG COMPOUND HMDB0003543 HMDB View more database links Registry Numbers Types Sources 123-72-8 CAS Registry Number KEGG COMPOUND 123-72-8 CAS Registry Number NIST Chemistry WebBook 123-72-8 CAS Registry Number ChemIDplus 506061 Reaxys Registry Number Reaxys Citations Types Sources 16347493 PubMed citation Europe PMC 20833537 PubMed citation Europe PMC Last Modified 27 January 2016