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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:16:51 UTC
Update Date2025-03-25 00:59:52 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02239751
Frequency0.5
Structure
Chemical FormulaC7H13N3O3S
Molecular Mass219.0678
SMILESNC(N)=NC1SCC(C(=O)O)CC1O
InChI KeyIGQUGJWUESXINU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classthianes
Subclass thianes
Direct Parent thianes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboximidamides
  • carboxylic acids
  • dialkylthioethers
  • guanidines
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • secondary alcohols
    • Substituents
  • alcohol
  • carbonyl group
  • carboxylic acid
  • guanidine
  • dialkylthioether
  • organic 1,3-dipolar compound
  • carboximidamide
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • thioether
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • thiane