Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:44 UTC
Update Date2025-03-25 00:46:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02157427
Frequency0.5
Structure
Chemical FormulaC7H13O9P
Molecular Mass272.0297
SMILESO=C(O)CCCOP(=O)(O)OCC(O)C(=O)O
InChI KeyVRLUWWPYNCOCJH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent sugar acids and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alpha hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • dialkyl phosphates
  • dicarboxylic acids and derivatives
  • fatty acids and conjugates
  • hydrocarbon derivatives
  • monosaccharides
  • organic oxides
  • secondary alcohols
  • short-chain hydroxy acids and derivatives
  • Substituents
  • alcohol
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • short-chain hydroxy acid
  • alpha-hydroxy acid
  • monosaccharide
  • fatty acid
  • hydroxy acid
  • carboxylic acid derivative
  • dialkyl phosphate
  • organic oxide
  • phosphoric acid ester
  • glyceric_acid
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • organic phosphoric acid derivative
  • alkyl phosphate