CHEBI:28180 - but-3-ynal

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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
Supplier Information
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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).
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ChEBI Ontology
Outgoing but-3-ynal (CHEBI:28180) has role mouse metabolite (CHEBI:75771)
but-3-ynal (CHEBI:28180) is a α-CH2-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