CHEBI:35194 - isoprene

Main ChEBI Ontology Automatic Xrefs
ChEBI Name isoprene
ChEBI ID CHEBI:35194
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Save molfile Download Molfile
Wikipedia License
Waiting for wikipedia content
Read full article at Wikipedia
Formula C5H8
Net Charge 0
Average Mass 68.11702
InChI InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3
InChIKey RRHGJUQNOFWUDK-UHFFFAOYSA-N
SMILES CC(=C)C=C
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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)
IUPAC Name
2-methylbuta-1,3-diene
Synonyms Sources
2-Methyl-1,3-butadiene KEGG COMPOUND
2-methyl-1,3-butadiene ChemIDplus
2-methylbutadiene NIST Chemistry WebBook
2-methyldivinyl ChemIDplus
β-methylbivinyl NIST Chemistry WebBook
CH2=C(CH3)CH=CH2 IUPAC
isopentadiene NIST Chemistry WebBook
Isopren ChEBI
isoprene UniProt
isoprène IUPAC
isopreno IUPAC
isoterpene ChEBI
Database Links Databases
C16521 KEGG COMPOUND
CPD-9436 MetaCyc
Isoprene Wikipedia
View more database links
Registry Numbers Types Sources
1768 Gmelin Registry Number Gmelin
78-79-5 CAS Registry Number ChemIDplus
78-79-5 CAS Registry Number NIST Chemistry WebBook
969158 Beilstein Registry Number Beilstein
969158 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
17921528 PubMed citation CiteXplore
19011917 PubMed citation CiteXplore
8690002 PubMed citation CiteXplore
Last Modified
16 July 2015