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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:35194 - isoprene
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ChEBI Name
isoprene
ChEBI ID
CHEBI:35194
Definition
A hemiterpene with the formula CH
2
=C(CH
3
)CH=CH
2
; the monomer of natural rubber and a common structure motif to the isoprenoids, a large class of other naturally occurring compounds.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C5H8
Net Charge
0
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.
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
)
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
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
CH
2
=C(CH
3
)CH=CH
2
IUPAC
isopentadiene
NIST Chemistry WebBook
Isopren
ChEBI
isoprene
UniProt
isoprène
IUPAC
isopreno
IUPAC
isoterpene
ChEBI
Manual Xrefs
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
Types
Sources
17921528
PubMed citation
Europe PMC
19011917
PubMed citation
Europe PMC
8690002
PubMed citation
Europe PMC
Last Modified
29 May 2019