Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:54 UTC
Update Date2025-03-25 00:54:20 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02205578
Frequency0.5
Structure
Chemical FormulaC7H10N2O3
Molecular Mass170.0691
SMILESNc1[nH]cc(CCO)c1C(=O)O
InChI KeyHVLLYRUBNXHHQF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrroles
Subclass pyrrole carboxylic acids and derivatives
Direct Parent pyrrole carboxylic acids
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-carboxy-2-haloaromatic compounds
  • alcohols and polyols
  • amino acids
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • primary amines
  • vinylogous amides
  • Substituents
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • amino acid or derivatives
  • amino acid
  • carboxylic acid derivative
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • 1-carboxy-2-haloaromatic compound
  • alcohol
  • vinylogous amide
  • azacycle
  • heteroaromatic compound
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • pyrrole-3-carboxylic acid
  • amine
  • organooxygen compound