isoprene (CHEBI:35194)

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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	No supplier information found for this compound.

Download	Molfile XML SDF

Wikipedia	License
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Formula

C5H8

Net Charge

Average Mass

68.11702

Monoisotopic Mass

68.06260

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.

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) isoprene (CHEBI:35194) is a volatile organic compound (CHEBI:134179)

Incoming	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

Last Modified

29 May 2019