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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:22:18 UTC
Update Date2025-03-25 01:01:54 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02252384
Frequency0.5
Structure
Chemical FormulaC10H18N2O4
Molecular Mass230.1267
SMILESNCCCCNC(=C=O)CC(O)CC(=O)O
InChI KeyXFJNMVLJFQLITE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent delta amino acids and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • amino acids
  • amino fatty acids
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • dialkylamines
  • fatty acyls
  • hydrocarbon derivatives
  • hydroxy fatty acids
  • medium-chain fatty acids
  • medium-chain hydroxy acids and derivatives
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • secondary alcohols
  • ynolates
  • Substituents
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • amino acid
  • medium-chain hydroxy acid
  • beta-hydroxy acid
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • delta amino acid or derivatives
  • medium-chain fatty acid
  • hydroxy fatty acid
  • alcohol
  • secondary aliphatic amine
  • hydroxy acid
  • secondary amine
  • amino fatty acid
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • ynolate
  • secondary alcohol
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound
  • amine