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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:15743 - butanal
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ChEBI Ontology
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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
72.05751
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