Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:42 UTC
Update Date2025-03-25 00:54:16 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02205142
Frequency0.5
Structure
Chemical FormulaC6H12N2O4
Molecular Mass176.0797
SMILESNC1CC(O)OC(C(=O)O)C1N
InChI KeyVHRYFKAMPFZWNK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent beta amino acids and derivatives
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids
  • hemiacetals
  • hydrocarbon derivatives
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • pyran carboxylic acids
  • Substituents
  • carbonyl group
  • carboxylic acid
  • pyran carboxylic acid or derivatives
  • pyran carboxylic acid
  • beta amino acid or derivatives
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • pyran
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hemiacetal
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • oxane
  • organoheterocyclic compound
  • organooxygen compound