Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:10:59 UTC
Update Date2025-03-25 00:57:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02226585
Frequency0.5
Structure
Chemical FormulaC9H18O14P2
Molecular Mass412.0172
SMILESCC(OC1C(O)C(OP(=O)(O)O)C(O)C(O)C1OP(=O)(O)O)C(=O)O
InChI KeyQUYIWSZXKQDUKU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent inositol phosphates
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids
  • cyclohexanols
  • dialkyl ethers
  • hydrocarbon derivatives
  • monoalkyl phosphates
  • monocarboxylic acids and derivatives
  • organic oxides
  • Substituents
  • carbonyl group
  • ether
  • carboxylic acid
  • cyclohexanol
  • inositol phosphate
  • carboxylic acid derivative
  • dialkyl ether
  • organic oxide
  • monocarboxylic acid or derivatives
  • phosphoric acid ester
  • monoalkyl phosphate
  • secondary alcohol
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative
  • organic phosphoric acid derivative
  • alkyl phosphate