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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:43 UTC
Update Date2025-03-25 00:54:16 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02205195
Frequency0.5
Structure
Chemical FormulaC4H10N2O8P2
Molecular Mass275.9912
SMILESNC1=NCC(COP(=O)(O)OP(=O)(O)O)O1
InChI KeyIIYOBBDTFZNWOL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganic oxoanionic compounds
Subclass organic pyrophosphates
Direct Parent organic pyrophosphates
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carboximidamides
  • hydrocarbon derivatives
  • monoalkyl phosphates
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxazolines
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • azacycle
  • organic 1,3-dipolar compound
  • carboximidamide
  • organic pyrophosphate
  • propargyl-type 1,3-dipolar organic compound
  • oxacycle
  • oxazoline
  • organic oxide
  • phosphoric acid ester
  • monoalkyl phosphate
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic phosphoric acid derivative
  • alkyl phosphate
  • organoheterocyclic compound
  • organooxygen compound