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

ChEBI IDCHEBI:87530
ChEBI Name(4E)-2,3-dimethylhexa-1,4-diene
Stars
ASCII Name(4E)-2,3-dimethylhexa-1,4-diene
DefinitionAn alkadiene that is hexa-1,4-diene substituted by methyl groups at positions 2 and 3 respectively.
Last Modified18 August 2015
Submitternamrata
DownloadsMolfile
FormulaC8H14
Net Charge0
Average Mass110.200
Monoisotopic Mass110.10955
SMILESC=C(C)C(C)/C=C/C
InChIInChI=1S/C8H14/c1-5-6-8(4)7(2)3/h5-6,8H,2H2,1,3-4H3/b6-5+
InChIKeyQGDVKFLWAVKNAA-AATRIKPKSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
(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 NumbersSources
Reaxys:2203085Reaxys
CAS:18669-52-8ChemIDplus