Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:11:30 UTC
Update Date2025-03-25 00:57:57 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02227695
Frequency0.5
Structure
Chemical FormulaC9H14O8
Molecular Mass250.0689
SMILESCC(=O)C(=O)OC1C(CO)OC(O)C(O)C1O
InChI KeyBXGTVRRAPKTSRE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent monosaccharides
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • alpha-keto acids and derivatives
  • carboxylic acid esters
  • hemiacetals
  • hydrocarbon derivatives
  • ketones
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • secondary alcohols
  • Substituents
  • alcohol
  • carbonyl group
  • monosaccharide
  • carboxylic acid derivative
  • ketone
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • keto acid
  • carboxylic acid ester
  • aliphatic heteromonocyclic compound
  • alpha-keto acid
  • secondary alcohol
  • hemiacetal
  • hydrocarbon derivative
  • oxane
  • primary alcohol
  • organoheterocyclic compound