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Record Information
HMDB Statusdetected
Creation Date2024-02-21 02:22:10 UTC
Update Date2025-03-21 20:54:02 UTC
HMDB IDHMDB0246989
Metabolite Identification
DeepMet IDDMID00395568
Name2-(Prop-2-ynylamino)acetic acid
Frequency4.6
Structure
Chemical FormulaC5H7NO2
Molecular Mass113.0477
SMILESC#CCNCC(=O)O
InChI KeyXSJLQGMTIHCDSS-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
  • acetylides
  • amino acids
  • carbonyl compounds
  • carboxylic acids
  • dialkylamines
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • Substituents
  • aliphatic acyclic compound
  • secondary aliphatic amine
  • carbonyl group
  • acetylide
  • carboxylic acid
  • amino acid
  • secondary amine
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • amine