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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:56:07 UTC
Update Date2025-03-25 00:52:14 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02192378
Frequency0.5
Structure
Chemical FormulaC28H46N3O12P
Molecular Mass647.2819
SMILESCCCCCCC=CCCCCCCCC(=O)NC(COP(=O)(O)OCC1OC(n2ccc(=O)[nH]c2=O)C(O)C1O)C(=O)O
InChI KeyUQXLGBGGDIMPSE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassnucleosides, nucleotides, and analogues
Classpyrimidine nucleotides
Subclass pyrimidine ribonucleotides
Direct Parent pyrimidine ribonucleoside monophosphates
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1,2-diols
  • alpha amino acids
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • dialkyl phosphates
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • monocarboxylic acids and derivatives
  • monosaccharides
  • n-acyl amines
  • n-acyl-alpha amino acids
  • organic carbonic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • pentose phosphates
  • phosphoethanolamines
  • pyrimidones
  • secondary alcohols
  • secondary carboxylic acid amides
  • tetrahydrofurans
  • vinylogous amides
    • Substituents
  • fatty acyl
  • carbonyl group
  • lactam
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • pentose phosphate
  • fatty amide
  • monosaccharide
  • pentose-5-phosphate
  • pyrimidone
  • alpha-amino acid or derivatives
  • carboxylic acid derivative
  • pyrimidine
  • phosphoethanolamine
  • saccharide
  • organic oxide
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • organoheterocyclic compound
  • 1,2-diol
  • n-acyl-alpha amino acid or derivatives
  • alcohol
  • vinylogous amide
  • carbonic acid derivative
  • azacycle
  • n-acyl-alpha-amino acid
  • tetrahydrofuran
  • heteroaromatic compound
  • carboxamide group
  • n-acyl-amine
  • oxacycle
  • secondary carboxylic acid amide
  • dialkyl phosphate
  • pyrimidine ribonucleoside monophosphate
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • phosphoric acid ester
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic phosphoric acid derivative
  • alkyl phosphate
  • organooxygen compound