Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:10:18 UTC
Update Date2025-03-25 00:57:29 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02225114
Frequency0.5
Structure
Chemical FormulaC9H13N2O5P
Molecular Mass260.0562
SMILESNc1ccccc1P(=O)(O)OCC(N)C(=O)O
InChI KeyAUAWRAZWWBHBAK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent alpha amino acids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • amino acids
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organophosphorus compounds
  • organopnictogen compounds
  • phosphonic acid esters
  • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • amino acid
  • phosphonic acid ester
  • organic oxide
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • organophosphorus compound
  • organophosphonic acid derivative
  • aromatic homomonocyclic compound
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • benzenoid
  • primary aliphatic amine
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound