Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:17 UTC
Update Date2025-03-25 00:46:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02156428
Frequency0.5
Structure
Chemical FormulaC22H47NO11+
Molecular Mass501.3144
SMILESC[N+](CCOCCOCCOCCOCCOCCOCCO)COCCOCCOCCO
InChI KeyOHZIPMHIZRBHQQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass amines
Direct Parent hemiaminals
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alcohols and polyols
  • dialkyl ethers
  • hydrocarbon derivatives
  • organic cations
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • alcohol
  • aliphatic acyclic compound
  • ether
  • dialkyl ether
  • hemiaminal
  • organic oxygen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic cation
  • organooxygen compound