Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:43:35 UTC
Update Date2025-03-25 00:47:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02163771
Frequency0.5
Structure
Chemical FormulaC7H13NO3
Molecular Mass159.0895
SMILESCC1(C)OCC(C(=O)CN)O1
InChI KeyXGZLUUNMBGHOAW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass ethers
Direct Parent ketals
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,3-dioxolanes
  • hydrocarbon derivatives
  • ketones
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • Substituents
  • meta-dioxolane
  • carbonyl group
  • ketone
  • oxacycle
  • organic oxide
  • ketal
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organoheterocyclic compound