Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 13:29:05 UTC
Update Date2025-03-24 22:05:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01988552
Frequency0.6
Structure
Chemical FormulaC5H8N2O2
Molecular Mass128.0586
SMILESCOC(=O)C1CCN=N1
InChI KeyNPXFBJIDOATJDZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent alpha amino acid esters
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • alpha amino acids
  • azacyclic compounds
  • azo compounds
  • carbonyl compounds
  • hydrocarbon derivatives
  • methyl esters
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • Substituents
  • carbonyl group
  • alpha-amino acid ester
  • azacycle
  • organic 1,3-dipolar compound
  • azo compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • methyl ester
  • organic oxygen compound
  • carboxylic acid ester
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organoheterocyclic compound
  • organooxygen compound