Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:54:27 UTC
Update Date2025-03-25 00:51:41 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02188662
Frequency0.5
Structure
Chemical FormulaC9H14O5
Molecular Mass202.0841
SMILESCC1(C(=O)O)CCCC(CC(=O)O)O1
InChI KeyYQJZVGOBSMNODW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent c-glucuronides
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids
  • dialkyl ethers
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • pyran carboxylic acids
  • Substituents
  • c-glucuronide
  • carbonyl group
  • ether
  • carboxylic acid
  • pyran carboxylic acid or derivatives
  • carboxylic acid derivative
  • pyran carboxylic acid
  • dialkyl ether
  • oxacycle
  • organic oxide
  • pyran
  • aliphatic heteromonocyclic compound
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • oxane
  • organoheterocyclic compound