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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:13:06 UTC
Update Date2025-03-25 00:58:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02231229
Frequency0.5
Structure
Chemical FormulaC8H15NO6
Molecular Mass221.0899
SMILESCCN(CC(=O)O)CC(O)C(O)C(=O)O
InChI KeyZGWARCUHWMWIAF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent alpha amino acids
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • 1,2-aminoalcohols
  • 1,2-diols
  • 1,3-aminoalcohols
  • alpha hydroxy acids and derivatives
  • amino acids
  • amino fatty acids
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • hydroxy fatty acids
  • monosaccharides
  • organic oxides
  • organopnictogen compounds
  • secondary alcohols
  • short-chain hydroxy acids and derivatives
  • trialkylamines
  • Substituents
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • short-chain hydroxy acid
  • amino acid
  • alpha-hydroxy acid
  • monosaccharide
  • fatty acid
  • beta-hydroxy acid
  • saccharide
  • organic oxide
  • alpha-amino acid
  • organonitrogen compound
  • organopnictogen compound
  • hydroxy fatty acid
  • tertiary amine
  • 1,2-diol
  • alcohol
  • 1,3-aminoalcohol
  • 1,2-aminoalcohol
  • tertiary aliphatic amine
  • hydroxy acid
  • amino fatty acid
  • organic oxygen compound
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • organooxygen compound