Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:10:34 UTC
Update Date2025-03-21 18:31:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00087397
Frequency32.5
Structure
Chemical FormulaC10H16O3
Molecular Mass184.1099
SMILESCCCCCC(=O)C1CCC(=O)O1
InChI KeyHSHHXOPWMSJBTB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alpha-acyloxy ketones
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • carboxylic acid esters
  • gamma butyrolactones
  • hydrocarbon derivatives
  • ketones
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • tetrahydrofurans
  • Substituents
  • alpha-acyloxy ketone
  • tetrahydrofuran
  • carboxylic acid derivative
  • gamma butyrolactone
  • ketone
  • lactone
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • carboxylic acid ester
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • organoheterocyclic compound