CHEBI:39478 - buta-1,3-diene

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ChEBI Name buta-1,3-diene
ChEBI ID CHEBI:39478
Definition A butadiene with unsaturation at positions 1 and 3.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C4H6
Net Charge 0
Average Mass 54.09044
Monoisotopic Mass 54.047
InChI InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2
InChIKey KAKZBPTYRLMSJV-UHFFFAOYSA-N
SMILES C=CC=C
Roles Classification
Biological Role(s): carcinogenic agent
A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities.
mutagen
An agent that increases the frequency of mutations above the normal background level, usually by interacting directly with DNA and causing it damage, including base substitution.
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ChEBI Ontology
Outgoing buta-1,3-diene (CHEBI:39478) has role carcinogenic agent (CHEBI:50903)
buta-1,3-diene (CHEBI:39478) has role mutagen (CHEBI:25435)
buta-1,3-diene (CHEBI:39478) is a butadiene (CHEBI:39479)
Incoming (2Z,3Z)-bis{amino[(2-aminophenyl)sulfanyl]methylidene}butanedinitrile (CHEBI:64208) has parent hydride buta-1,3-diene (CHEBI:39478)
1,4-diamino-2,3-dicyano-1,4-bis(phenylthio)butadiene (CHEBI:75389) has parent hydride buta-1,3-diene (CHEBI:39478)
4-(1-methyleneallyl)-1,5,5-trimethylcyclopentene (CHEBI:48695) has parent hydride buta-1,3-diene (CHEBI:39478)
chloroprene (CHEBI:39481) has parent hydride buta-1,3-diene (CHEBI:39478)
IUPAC Name
buta-1,3-diene
Synonyms Sources
1,3-Butadien ChEBI
1,3-butadiene ChemIDplus
α,γ-butadiene NIST Chemistry WebBook
bivinyl ChemIDplus
Buta-1,3-dien ChEBI
CH2=CH‒CH=CH2 IUPAC
divinyl NIST Chemistry WebBook
vinylethylene ChemIDplus
Database Links Databases
1,3-Butadiene Wikipedia
C16450 KEGG COMPOUND
HMDB0041792 HMDB
View more database links
Registry Numbers Types Sources
106-99-0 CAS Registry Number KEGG COMPOUND
106-99-0 CAS Registry Number NIST Chemistry WebBook
106-99-0 CAS Registry Number ChemIDplus
25198 Gmelin Registry Number Gmelin
605258 Reaxys Registry Number Reaxys
605258 Beilstein Registry Number Beilstein
Citations Waiting for Citations Types Sources
11018742 PubMed citation Europe PMC
11397424 PubMed citation Europe PMC
7520987 PubMed citation Europe PMC
7859343 PubMed citation Europe PMC
Last Modified
28 July 2014