Hmdb loader

Showing information for DMID02150547

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:37:45 UTC
Update Date2025-03-25 00:45:40 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02150547
Frequency0.5
Structure
Chemical FormulaC12H25N5O5S
Molecular Mass351.1576
SMILESNC(NCCCCC(N)C(=O)O)SCC(N)C(=O)NCC(=O)O
InChI KeyPCZFZMALKUOHDD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent acyl glycines
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alpha amino acid amides
  • alpha amino acids
  • amino acids
  • carbonyl compounds
  • carboxylic acids
  • cysteine and derivatives
  • dialkylamines
  • dialkylthioethers
  • dicarboxylic acids and derivatives
  • dipeptides
  • hydrocarbon derivatives
  • medium-chain fatty acids
  • monoalkylamines
  • organic oxides
  • organopnictogen compounds
  • secondary carboxylic acid amides
  • sulfenyl compounds
    • Substituents
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • amino acid
  • fatty acid
  • organosulfur compound
  • alpha peptide
  • organic oxide
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • medium-chain fatty acid
  • secondary aliphatic amine
  • sulfenyl compound
  • alpha-amino acid amide
  • dialkylthioether
  • secondary amine
  • carboxamide group
  • n-acylglycine
  • alpha-dipeptide
  • secondary carboxylic acid amide
  • organic oxygen compound
  • thioether
  • cysteine or derivatives
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound
  • amine