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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:48 UTC
Update Date2025-03-25 00:46:50 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02157569
Frequency0.5
Structure
Chemical FormulaC9H16NO11P
Molecular Mass345.0461
SMILESO=C(O)CCNC(=O)C(O)C(=O)C(O)C(O)COP(=O)(O)O
InChI KeyGIYAPOOUPYHYGS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent pentose phosphates
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • 1,3-dicarbonyl compounds
  • acyloins
  • alpha-hydroxy ketones
  • beta amino acids and derivatives
  • beta-hydroxy ketones
  • carboxylic acids
  • hydrocarbon derivatives
  • monoalkyl phosphates
  • monocarboxylic acids and derivatives
  • monosaccharides
  • n-acyl amines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary alcohols
  • secondary carboxylic acid amides
    • Substituents
  • fatty acyl
  • beta-hydroxy ketone
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • pentose phosphate
  • fatty amide
  • alpha-hydroxy ketone
  • carboxylic acid derivative
  • ketone
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • alcohol
  • carboxamide group
  • n-acyl-amine
  • beta amino acid or derivatives
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • phosphoric acid ester
  • monoalkyl phosphate
  • acyloin
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • 1,3-dicarbonyl compound
  • organic phosphoric acid derivative
  • alkyl phosphate