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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:01:44 UTC
Update Date2025-03-21 18:06:58 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00066282
Frequency46.1
Structure
Chemical FormulaC12H23N2O9P2S+
Molecular Mass433.0594
SMILESCc1c(CCOP(=O)(O)OP(=O)(O)O)sc[n+]1CCCCC(N)C(=O)O
InChI KeyYZNLGOBDPWLKNH-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganic oxoanionic compounds
Subclass organic pyrophosphates
Direct Parent organic pyrophosphates
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 4,5-disubstituted thiazoles
  • alpha amino acids
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • medium-chain fatty acids
  • medium-chain hydroxy acids and derivatives
  • monoalkyl phosphates
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • organic cations
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
    • Substituents
  • fatty acyl
  • carbonyl group
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • fatty acid
  • alpha-amino acid or derivatives
  • carboxylic acid derivative
  • medium-chain hydroxy acid
  • organic oxide
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • medium-chain fatty acid
  • organic cation
  • organoheterocyclic compound
  • azole
  • azacycle
  • heteroaromatic compound
  • organic pyrophosphate
  • 4,5-disubstituted 1,3-thiazole
  • monocarboxylic acid or derivatives
  • phosphoric acid ester
  • monoalkyl phosphate
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • thiazole
  • organic phosphoric acid derivative
  • alkyl phosphate
  • organooxygen compound