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CHEBI:39478 - buta-1,3-diene
| Formula | C4H6 |
| Net Charge | 0 |
| Average Mass | 54.092 |
| Monoisotopic Mass | 54.04695 |
| SMILES | C=CC=C |
| InChI | InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2 |
| InChIKey | KAKZBPTYRLMSJV-UHFFFAOYSA-N |
| Wikipedia |
|---|
| Roles Classification |
|---|
| Biological Roles: | 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 Relation(s) |
| 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 Relation(s) |
| 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 | Source |
|---|---|
| 1,3-Butadien | ChEBI |
| 1,3-butadiene | ChemIDplus |
| bivinyl | ChemIDplus |
| Buta-1,3-dien | ChEBI |
| CH2=CH‒CH=CH2 | IUPAC |
| divinyl | NIST Chemistry WebBook |
| Manual Xrefs | Databases |
|---|---|
| 1,3-Butadiene | Wikipedia |
| 1636 | PPDB |
| C16450 | KEGG COMPOUND |
| HMDB0041792 | HMDB |
| Citations |
|---|