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Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
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ChEBI
> Main
CHEBI:28180 - but-3-ynal
Main
ChEBI Ontology
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ChEBI Name
but-3-ynal
ChEBI ID
CHEBI:28180
Definition
A butynal which has a monosubstituted triple bond.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:1459, CHEBI:19968
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Formula
C4H4O
Net Charge
0
Average Mass
68.07400
Monoisotopic Mass
68.02621
InChI
InChI=1S/C4H4O/c1-2-3-4-5/h1,4H,3H2
InChIKey
OGQNOIVDVXRWRE-UHFFFAOYSA-N
SMILES
[H]C(=O)CC#C
Metabolite of Species
Details
Mus musculus
(NCBI:txid10090)
Source: BioModels - MODEL1507180067 See:
PubMed
Roles Classification
Biological Role
(s):
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (
Mus musculus
).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
but-3-ynal (
CHEBI:28180
)
has role
mouse metabolite (
CHEBI:75771
)
but-3-ynal (
CHEBI:28180
)
is a
α-CH
2
-containing aldehyde (
CHEBI:73359
)
but-3-ynal (
CHEBI:28180
)
is a
butynal (
CHEBI:22968
)
but-3-ynal (
CHEBI:28180
)
is a
terminal acetylenic compound (
CHEBI:73477
)
IUPAC Name
but-3-ynal
Synonyms
Sources
3-Butyn-1-al
KEGG COMPOUND
3-butynal
IUPAC
but-3-ynal
UniProt
Manual Xref
Database
C06145
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
52844-23-2
CAS Registry Number
KEGG COMPOUND
52844-23-2
CAS Registry Number
ChemIDplus
52844-23-2
CAS Registry Number
NIST Chemistry WebBook
Last Modified
27 January 2016