buta-1,3-diene (CHEBI:39478)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

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.

Supplier Information

Download	Molfile XML SDF

Wikipedia	License

Read full article at Wikipedia

Formula

C4H6

Net Charge

Average Mass

54.09044

Monoisotopic Mass

54.04695

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.

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	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

Last Modified

28 July 2014