Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:17:56 UTC
Update Date2025-03-21 18:35:22 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00105268
Frequency37.6
Structure
Chemical FormulaC14H18BrN3
Molecular Mass307.0684
SMILESCN(C)CCC(c1ccc(Br)cc1)c1c[nH]cn1
InChI KeyWPDBKFNDBVZNHT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass halobenzenes
Direct Parent bromobenzenes
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • aryl bromides
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • organobromides
  • organopnictogen compounds
  • trialkylamines
  • Substituents
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • tertiary aliphatic amine
  • bromobenzene
  • organohalogen compound
  • aryl halide
  • imidazole
  • organonitrogen compound
  • organobromide
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • aryl bromide
  • amine
  • tertiary amine
  • organoheterocyclic compound
  • azole