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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:42:02 UTC
Update Date2025-03-21 18:48:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00162163
Frequency27.2
Structure
Chemical FormulaC9H18N2O3
Molecular Mass202.1317
SMILESCCC(C)C(CC(=O)O)N=C(O)CN
InChI KeyVHOMJDSADLGFGA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classpeptidomimetics
Subclass hybrid peptides
Direct Parent hybrid peptides
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • amino fatty acids
  • carbonyl compounds
  • carboximidic acids
  • carboxylic acids
  • hydrocarbon derivatives
  • medium-chain fatty acids
  • medium-chain hydroxy acids and derivatives
  • methyl-branched fatty acids
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • fatty acyl
  • aliphatic acyclic compound
  • carboximidic acid
  • carbonyl group
  • carboxylic acid
  • fatty acid
  • carboxylic acid derivative
  • medium-chain hydroxy acid
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • medium-chain fatty acid
  • methyl-branched fatty acid
  • organic 1,3-dipolar compound
  • amino fatty acid
  • branched fatty acid
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hybrid peptide
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound