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Record Information
HMDB Statusexpected
Creation Date2024-02-20 23:39:37 UTC
Update Date2025-03-21 17:58:28 UTC
HMDB IDHMDB0012114
Metabolite Identification
DeepMet IDDMID00014585
Name(3S)-3,6-Diaminohexanoate
Frequency301.7
Structure
Chemical FormulaC6H14N2O2
Molecular Mass146.1055
SMILESNCCCC(N)CC(=O)O
InChI KeyQKEWQOJCHPFEAF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent beta amino acids and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • amino fatty acids
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • medium-chain fatty acids
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • fatty acid
  • amino fatty acid
  • beta amino acid or derivatives
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • medium-chain fatty acid
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound