Hmdb loader
Record Information
HMDB Statusexpected
Creation Date2024-02-21 04:49:49 UTC
Update Date2025-03-24 14:04:09 UTC
HMDB IDHMDB0037777
Metabolite Identification
DeepMet IDDMID00746210
Name2-Isopropyl-1,4-hexadiene
Frequency2.0
Structure
Chemical FormulaC9H16
Molecular Mass124.1252
SMILESC=C(CC=CC)C(C)C
InChI KeyKKKHJDOOIQCWIL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasshydrocarbons
Classunsaturated hydrocarbons
Subclass branched unsaturated hydrocarbons
Direct Parent branched unsaturated hydrocarbons
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkadienes
  • unsaturated aliphatic hydrocarbons
  • Substituents
  • aliphatic acyclic compound
  • branched unsaturated hydrocarbon
  • alkadiene
  • unsaturated aliphatic hydrocarbon
  • olefin
  • acyclic olefin