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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:53:21 UTC
Update Date2025-03-25 00:51:19 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02186126
Frequency0.5
Structure
Chemical FormulaC17H29NO14
Molecular Mass471.1588
SMILESO=C(CCC(O)C(=O)O)NCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O
InChI KeyALRVQYACBKCXFY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classsaccharolipids
Subclass saccharolipids
Direct Parent saccharolipids
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • alpha hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • hemiacetals
  • heterocyclic fatty acids
  • hydrocarbon derivatives
  • hydroxy fatty acids
  • monocarboxylic acids and derivatives
  • monosaccharides
  • n-acyl amines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • secondary alcohols
  • secondary carboxylic acid amides
  • short-chain hydroxy acids and derivatives
    • Substituents
  • fatty acyl
  • carbonyl group
  • carboxylic acid
  • short-chain hydroxy acid
  • heterocyclic fatty acid
  • alpha-hydroxy acid
  • fatty amide
  • monosaccharide
  • fatty acid
  • carboxylic acid derivative
  • saccharide
  • organic oxide
  • acetal
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hemiacetal
  • hydroxy fatty acid
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • alcohol
  • hydroxy acid
  • carboxamide group
  • n-acyl-amine
  • oxacycle
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • saccharolipid
  • organooxygen compound