CHEBI:87530 - (4E)-2,3-dimethylhexa-1,4-diene

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ChEBI Name (4E)-2,3-dimethylhexa-1,4-diene
ChEBI ID CHEBI:87530
ChEBI ASCII Name (4E)-2,3-dimethylhexa-1,4-diene
Definition An alkadiene that is hexa-1,4-diene substituted by methyl groups at positions 2 and 3 respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C8H14
Net Charge 0
Average Mass 110.19680
Monoisotopic Mass 110.10955
InChI InChI=1S/C8H14/c1-5-6-8(4)7(2)3/h5-6,8H,2H2,1,3-4H3/b6-5+
InChIKey QGDVKFLWAVKNAA-AATRIKPKSA-N
SMILES C\C=C\C(C)C(C)=C
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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ChEBI Ontology
Outgoing (4E)-2,3-dimethylhexa-1,4-diene (CHEBI:87530) has role metabolite (CHEBI:25212)
(4E)-2,3-dimethylhexa-1,4-diene (CHEBI:87530) is a alkadiene (CHEBI:33646)
IUPAC Name
(4E)-2,3-dimethylhexa-1,4-diene
Registry Numbers Types Sources
18669-52-8 CAS Registry Number ChemIDplus
2203085 Reaxys Registry Number Reaxys
Last Modified
18 August 2015