Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 07:10:06 UTC
Update Date2025-03-24 19:55:55 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01081468
Frequency1.3
Structure
Chemical FormulaC7H13NO
Molecular Mass127.0997
SMILESC=CCNC(C)C(C)=O
InChI KeyOBTIOVCBXNSSRA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent ketones
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • dialkylamines
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • Substituents
  • aliphatic acyclic compound
  • secondary aliphatic amine
  • secondary amine
  • ketone
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine