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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:42:39 UTC
Update Date2025-03-25 00:47:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02161648
Frequency0.5
Structure
Chemical FormulaC10H17NO5
Molecular Mass231.1107
SMILESNCC1(CCC(=O)O)CCCC(C(=O)O)O1
InChI KeyIBGOLBMVCQETLY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent c-glucuronides
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids
  • delta amino acids and derivatives
  • dialkyl ethers
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • pyran carboxylic acids
  • Substituents
  • c-glucuronide
  • carbonyl group
  • ether
  • carboxylic acid
  • pyran carboxylic acid or derivatives
  • carboxylic acid derivative
  • pyran carboxylic acid
  • dialkyl ether
  • oxacycle
  • organic oxide
  • pyran
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • dicarboxylic acid or derivatives
  • organopnictogen compound
  • delta amino acid or derivatives
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • oxane
  • organoheterocyclic compound