Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 05:49:18 UTC
Update Date2025-03-24 14:35:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00888769
Frequency1.6
Structure
Chemical FormulaC5H10O4
Molecular Mass134.0579
SMILESCC(C)(COO)C(=O)O
InChI KeyPQVVRSCSXODDAD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganic hydroperoxides
Subclass organic hydroperoxides
Direct Parent organic hydroperoxides
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkyl hydroperoxides
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • peroxols
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • hydroperoxide
  • carboxylic acid derivative
  • peroxol
  • organic oxide
  • monocarboxylic acid or derivatives
  • alkyl hydroperoxide
  • hydrocarbon derivative
  • organooxygen compound