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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: | 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. 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. |
| 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 |
|---|