Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:19:01 UTC
Update Date2025-03-25 01:00:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02244809
Frequency0.5
Structure
Chemical FormulaC9H15NO6
Molecular Mass233.0899
SMILESCN(C)C(CCC(=O)O)(CC(=O)O)C(=O)O
InChI KeyNZNSVVSEAYIDLG-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
  • amino acids
  • amino fatty acids
  • carbonyl compounds
  • carboxylic acids
  • fatty acyls
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • trialkylamines
  • tricarboxylic acids and derivatives
  • Substituents
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • amino acid
  • tertiary aliphatic amine
  • tricarboxylic acid or derivatives
  • amino fatty acid
  • organic oxide
  • organic oxygen compound
  • alpha-amino acid
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • tertiary amine
  • organooxygen compound