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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:52:44 UTC
Update Date2025-03-25 00:51:05 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02184703
Frequency0.5
Structure
Chemical FormulaC11H21NO5
Molecular Mass247.142
SMILESNC(CO)C(=O)OCCCCCCCC(=O)O
InChI KeyNLWZCJXEBXINOX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent alpha amino acid esters
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alpha amino acids
  • amino fatty acids
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • hydroxy fatty acids
  • medium-chain fatty acids
  • medium-chain hydroxy acids and derivatives
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • primary alcohols
  • serine and derivatives
  • Substituents
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • fatty acid
  • medium-chain hydroxy acid
  • beta-hydroxy acid
  • organic oxide
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • medium-chain fatty acid
  • hydroxy fatty acid
  • primary alcohol
  • alcohol
  • alpha-amino acid ester
  • hydroxy acid
  • amino fatty acid
  • organic oxygen compound
  • carboxylic acid ester
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • serine or derivatives
  • organooxygen compound