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
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Formula C4H8O
Net Charge 0
Average Mass 72.10572
Monoisotopic Mass 72.058
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:10090) Source: BioModels - MODEL1507180067 See: PubMed
Escherichia coli (NCBI:562) 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)
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
Database Links 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 Waiting for Citations Types Sources
16347493 PubMed citation Europe PMC
20833537 PubMed citation Europe PMC
Last Modified
27 January 2016