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Record Information
HMDB Statusdetected
Creation Date2024-02-20 23:36:23 UTC
Update Date2025-03-21 17:57:19 UTC
HMDB IDHMDB0255660
Metabolite Identification
DeepMet IDDMID00007019
Name2-Amino-3-nitrososulfanylpropanoic acid
Frequency727.6
Structure
Chemical FormulaC3H6N2O3S
Molecular Mass150.0099
SMILESNC(CSN=O)C(=O)O
InChI KeyXOWVFANEOZMPKG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent cysteine and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alpha amino acids
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • nitrosothiols
  • organic oxides
  • organopnictogen compounds
  • sulfenyl compounds
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • organic nitroso compound
  • carboxylic acid
  • sulfenyl compound
  • organosulfur compound
  • nitrosothiol
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • cysteine or derivatives
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound
  • organic s-nitroso compound
  • nitrosothiol-group