Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:58:02 UTC
Update Date2025-03-25 00:52:53 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02196678
Frequency0.5
Structure
Chemical FormulaC10H20NO4+
Molecular Mass218.1387
SMILESCCC(CC(=O)O)OC(=O)C[N+](C)(C)C
InChI KeyZNPSGYNXKCNBHT-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classpeptidomimetics
Subclass depsipeptides
Direct Parent depsipeptides
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alpha amino acid esters
  • alpha amino acids
  • amines
  • carbonyl compounds
  • carboxylic acid esters
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • methyl-branched fatty acids
  • organic cations
  • organic oxides
  • organic salts
  • organopnictogen compounds
  • short-chain hydroxy acids and derivatives
  • tetraalkylammonium salts
  • Substituents
  • fatty acyl
  • aliphatic acyclic compound
  • depsipeptide
  • carbonyl group
  • carboxylic acid
  • short-chain hydroxy acid
  • fatty acid
  • alpha-amino acid or derivatives
  • carboxylic acid derivative
  • organic oxide
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • organic cation
  • organic salt
  • methyl-branched fatty acid
  • tetraalkylammonium salt
  • alpha-amino acid ester
  • quaternary ammonium salt
  • branched fatty acid
  • organic oxygen compound
  • carboxylic acid ester
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • organooxygen compound