Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:44:14 UTC
Update Date2025-03-25 00:47:58 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02165302
Frequency0.5
Structure
Chemical FormulaC12H21O13P
Molecular Mass404.072
SMILESCC1OC(OP(=O)(O)OCC2OC(=O)C(O)C(O)C2O)C(O)C(O)C1O
InChI KeyYLQTUMAYXSVTMP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent hexose phosphates
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acid esters
  • delta valerolactones
  • dialkyl phosphates
  • gluconolactones
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • secondary alcohols
  • Substituents
  • carbonyl group
  • delta valerolactone
  • carboxylic acid derivative
  • lactone
  • organic oxide
  • gluconolactone
  • aliphatic heteromonocyclic compound
  • oxane
  • delta_valerolactone
  • organoheterocyclic compound
  • alcohol
  • oxacycle
  • dialkyl phosphate
  • monocarboxylic acid or derivatives
  • phosphoric acid ester
  • carboxylic acid ester
  • secondary alcohol
  • hexose phosphate
  • hydrocarbon derivative
  • organic phosphoric acid derivative
  • alkyl phosphate