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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:27:51 UTC
Update Date2025-03-21 18:40:13 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00129085
Frequency19.7
Structure
Chemical FormulaC7H13NO5
Molecular Mass191.0794
SMILESNCCC(O)(CCC(=O)O)C(=O)O
InChI KeyHTRQLRVKDAVKSC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent gamma amino acids and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alpha hydroxy acids and derivatives
  • amino fatty acids
  • branched fatty acids
  • carbonyl compounds
  • 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
  • tertiary alcohols
  • Substituents
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • gamma amino acid or derivatives
  • alpha-hydroxy acid
  • fatty acid
  • medium-chain hydroxy acid
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • medium-chain fatty acid
  • hydroxy fatty acid
  • alcohol
  • hydroxy acid
  • amino fatty acid
  • branched fatty acid
  • tertiary alcohol
  • organic oxygen compound
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound