Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:04 UTC
Update Date2025-03-25 00:49:45 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02176368
Frequency0.5
Structure
Chemical FormulaC12H24NO12P
Molecular Mass405.1036
SMILESCC(OC1C(O)C(CO)OC(OP(=O)(O)O)C1NCC(O)CO)C(=O)O
InChI KeyXWSQKVXSHBVBCE-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 heteromonocyclic compounds
Alternative Parents
  • amino acids
  • carbonyl compounds
  • carboxylic acids
  • dialkyl ethers
  • dialkylamines
  • hydrocarbon derivatives
  • monoalkyl phosphates
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • secondary alcohols
  • Substituents
  • carbonyl group
  • ether
  • carboxylic acid
  • amino acid or derivatives
  • amino acid
  • monosaccharide
  • carboxylic acid derivative
  • dialkyl ether
  • muramic_acid
  • organic oxide
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • alcohol
  • secondary aliphatic amine
  • secondary amine
  • oxacycle
  • monocarboxylic acid or derivatives
  • phosphoric acid ester
  • monoalkyl phosphate
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic phosphoric acid derivative
  • alkyl phosphate
  • amine