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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:05:34 UTC
Update Date2025-03-25 00:55:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02214251
Frequency0.5
Structure
Chemical FormulaC9H17NO5
Molecular Mass219.1107
SMILESCN(C)CC1(C(=O)O)CC(O)C(CO)O1
InChI KeyDHULHVMPBOESGF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent furanoid amino acids and derivatives
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • amino acids
  • carbonyl compounds
  • carboxylic acids
  • dialkyl ethers
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • primary alcohols
  • secondary alcohols
  • tetrahydrofurans
  • trialkylamines
  • Substituents
  • carbonyl group
  • ether
  • carboxylic acid
  • amino acid or derivatives
  • amino acid
  • monosaccharide
  • carboxylic acid derivative
  • dialkyl ether
  • organic oxide
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • furanoid amino acid
  • primary alcohol
  • tertiary amine
  • organoheterocyclic compound
  • alcohol
  • tetrahydrofuran
  • tertiary aliphatic amine
  • oxacycle
  • monocarboxylic acid or derivatives
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine