EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:35194 - isoprene

ChEBI IDCHEBI:35194
ChEBI Nameisoprene
Stars
DefinitionA hemiterpene with the formula CH2=C(CH3)CH=CH2; the monomer of natural rubber and a common structure motif to the isoprenoids, a large class of other naturally occurring compounds.
Last Modified29 May 2019
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC5H8
Net Charge0
Average Mass68.119
Monoisotopic Mass68.06260
SMILESC=CC(=C)C
InChIInChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3
InChIKeyRRHGJUQNOFWUDK-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
isoprene (CHEBI:35194) has role plant metabolite (CHEBI:76924)
isoprene (CHEBI:35194) is a alkadiene (CHEBI:33646)
isoprene (CHEBI:35194) is a hemiterpene (CHEBI:35188)
isoprene (CHEBI:35194) is a volatile organic compound (CHEBI:134179)
Incoming Relation(s)
4-[(E)-{amino[(3-methylbut-2-en-1-yl)amino]methylidene}amino]butanoic acid (CHEBI:143814) has functional parent isoprene (CHEBI:35194)
IUPAC Name 
2-methylbuta-1,3-diene
Synonyms  Source
2-methylbutadieneNIST Chemistry WebBook
2-methyl-1,3-butadieneChemIDplus
β-methylbivinylNIST Chemistry WebBook
CH2=C(CH3)CH=CH2IUPAC
isopentadieneNIST Chemistry WebBook
2-methyldivinylChemIDplus
UniProt Name  Source
isopreneUniProt
Manual XrefsDatabases
CPD-9436MetaCyc
IsopreneWikipedia
C16521KEGG COMPOUND
Registry NumbersSources
Gmelin:1768Gmelin
Reaxys:969158Reaxys
CAS:78-79-5ChemIDplus
CAS:78-79-5NIST Chemistry WebBook
CAS:78-79-5KEGG COMPOUND
Citations