Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:25:22 UTC
Update Date2025-03-21 18:38:55 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00123215
Frequency20.9
Structure
Chemical FormulaC8H17N3O3
Molecular Mass203.127
SMILESNCCCCC(NCC(N)=O)C(=O)O
InChI KeyJEVDUZHZHSCJGA-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 aliphatic acyclic compounds
Alternative Parents
  • amino acids
  • amino fatty acids
  • carbonyl compounds
  • carboxylic acids
  • dialkylamines
  • hydrocarbon derivatives
  • medium-chain fatty acids
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • primary carboxylic acid amides
  • Substituents
  • primary carboxylic acid amide
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • amino acid
  • fatty acid
  • organic oxide
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • medium-chain fatty acid
  • secondary aliphatic amine
  • secondary amine
  • carboxamide group
  • amino fatty acid
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound
  • amine