Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 01:04:17 UTC
Update Date2025-03-21 19:02:41 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00214258
Frequency10.2
Structure
Chemical FormulaC6H10O3
Molecular Mass130.063
SMILESCC1(C)OCCC(=O)O1
InChI KeyDWZLYGCPJUPBEC-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-dioxanes
  • carbonyl compounds
  • carboxylic acid esters
  • hydrocarbon derivatives
  • lactones
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • Substituents
  • carbonyl group
  • carboxylic acid derivative
  • lactone
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • ketal
  • carboxylic acid ester
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • meta-dioxane
  • organoheterocyclic compound