Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:24:06 UTC
Update Date2025-03-21 18:38:19 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00120201
Frequency21.6
Structure
Chemical FormulaC8H19N3O2
Molecular Mass189.1477
SMILESNCCCCNCCCNC(=O)O
InChI KeyPLGUPDMYYPABMS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classorganic carbonic acids and derivatives
Subclass organic carbonic acids and derivatives
Direct Parent organic carbonic acids and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carbamic acids
  • carbonyl compounds
  • dialkylamines
  • hydrocarbon derivatives
  • monoalkylamines
  • organic oxides
  • organopnictogen compounds
  • Substituents
  • aliphatic acyclic compound
  • secondary aliphatic amine
  • carbonyl group
  • carbonic acid derivative
  • carbamic acid
  • secondary amine
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound
  • amine