Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:49 UTC
Update Date2025-03-25 00:50:21 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02180394
Frequency0.5
Structure
Chemical FormulaC4H13NO7P2+
Molecular Mass249.0162
SMILESC[N+](C)CCOP(=O)(O)OP(=O)(O)O
InChI KeyBXCXVGNXBHKGQL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganic oxoanionic compounds
Subclass organic pyrophosphates
Direct Parent organic pyrophosphates
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • monoalkyl phosphates
  • organic cations
  • organic oxides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • Substituents
  • aliphatic acyclic compound
  • organic pyrophosphate
  • organic oxide
  • phosphoric acid ester
  • monoalkyl phosphate
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation
  • organic phosphoric acid derivative
  • alkyl phosphate
  • organooxygen compound