Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:36 UTC
Update Date2025-03-25 00:47:05 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02159342
Frequency0.5
Structure
Chemical FormulaC6H12NO7P
Molecular Mass241.0351
SMILESC=C(NCC(O)COP(=O)(O)O)C(=O)O
InChI KeyCWGMNYCYFKZNFS-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
  • amino acids
  • carbonyl compounds
  • carboxylic acids
  • dialkylamines
  • hydrocarbon derivatives
  • monoalkyl phosphates
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • secondary alcohols
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • amino acid
  • organic oxide
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • alcohol
  • secondary aliphatic amine
  • secondary amine
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • phosphoric acid ester
  • monoalkyl phosphate
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic phosphoric acid derivative
  • alkyl phosphate
  • organooxygen compound
  • amine