Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:52:46 UTC
Update Date2025-03-25 00:51:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02184782
Frequency0.5
Structure
Chemical FormulaC9H20N4O4
Molecular Mass248.1485
SMILESN=C(N)NCCCNCC1OC(O)C(O)C1O
InChI KeyBGHLKSRMVSTDSW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent monosaccharides
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,2-diols
  • carboximidamides
  • dialkylamines
  • guanidines
  • hemiacetals
  • hydrocarbon derivatives
  • imines
  • organopnictogen compounds
  • oxacyclic compounds
  • secondary alcohols
  • tetrahydrofurans
  • Substituents
  • alcohol
  • secondary aliphatic amine
  • tetrahydrofuran
  • guanidine
  • imine
  • monosaccharide
  • carboximidamide
  • secondary amine
  • oxacycle
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hemiacetal
  • hydrocarbon derivative
  • organic nitrogen compound
  • organoheterocyclic compound
  • amine
  • 1,2-diol