Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:87530 - (4
E
)-2,3-dimethylhexa-1,4-diene
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
(4
E
)-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
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
(4
E
)-2,3-dimethylhexa-1,4-diene (
CHEBI:87530
)
has role
metabolite (
CHEBI:25212
)
(4
E
)-2,3-dimethylhexa-1,4-diene (
CHEBI:87530
)
is a
alkadiene (
CHEBI:33646
)
IUPAC Name
(4
E
)-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