Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:17:58 UTC
Update Date2025-03-25 01:00:22 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02242318
Frequency0.5
Structure
Chemical FormulaC12H21N3O5
Molecular Mass287.1481
SMILESCC(C)CN(CC(=O)O)C(=N)NCCCC(=O)C(=O)O
InChI KeyAKRCIQVNUNAUFF-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
  • alpha-hydroxy ketones
  • alpha-keto acids and derivatives
  • branched fatty acids
  • carboximidamides
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • fatty acyls
  • guanidines
  • hydrocarbon derivatives
  • imines
  • organic oxides
  • organopnictogen compounds
  • short-chain keto acids and derivatives
  • Substituents
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • guanidine
  • imine
  • short-chain keto acid
  • alpha-hydroxy ketone
  • ketone
  • organic oxide
  • organonitrogen compound
  • alpha-keto acid
  • alpha-amino acid
  • organopnictogen compound
  • carboximidamide
  • branched fatty acid
  • organic oxygen compound
  • keto acid
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound