Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:7386 - 4-acetamidobutanal
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
4-acetamidobutanal
ChEBI ID
CHEBI:7386
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C6H11NO2
Net Charge
0
Average Mass
129.15708
Monoisotopic Mass
129.07898
InChI
InChI=1S/C6H11NO2/c1-6(9)7-4-2-3-5-8/h5H,2-4H2,1H3,(H,7,9)
InChIKey
DDSLGZOYEPKPSJ-UHFFFAOYSA-N
SMILES
[H]C(=O)CCCNC(C)=O
Metabolite of Species
Details
Mus musculus
(NCBI:txid10090)
Source: BioModels - MODEL1507180067 See:
PubMed
Homo sapiens
(NCBI:txid9606)
See:
DOI
Roles Classification
Biological Role
(s):
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (
Homo sapiens
).
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (
Mus musculus
).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
4-acetamidobutanal (
CHEBI:7386
)
has functional parent
butanal (
CHEBI:15743
)
4-acetamidobutanal (
CHEBI:7386
)
has role
human metabolite (
CHEBI:77746
)
4-acetamidobutanal (
CHEBI:7386
)
has role
mouse metabolite (
CHEBI:75771
)
4-acetamidobutanal (
CHEBI:7386
)
is a
α-CH
2
-containing aldehyde (
CHEBI:73359
)
4-acetamidobutanal (
CHEBI:7386
)
is a
monocarboxylic acid amide (
CHEBI:29347
)
IUPAC Name
N
-(4-oxobutyl)acetamide
Synonyms
Sources
4-(acetylamino)butanal
ChEBI
4-acetamidobutanal
UniProt
4-Acetamidobutanal
KEGG COMPOUND
N
-acetyl-4-aminobutanal
ChEBI
N4-Acetylaminobutanal
KEGG COMPOUND
Manual Xref
Database
C05936
KEGG COMPOUND
View more database links
Registry Number
Type
Source
1925525
Beilstein Registry Number
Beilstein
Last Modified
27 January 2016