Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:17:48 UTC
Update Date2025-03-21 18:35:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00104979
Frequency25.8
Structure
Chemical FormulaC14H26N3O11P2+
Molecular Mass474.1037
SMILESC[N+](C)(C)CCOP(=O)(O)OP(=O)(O)OCC1OC(n2ccc(=O)[nH]c2=O)CC1O
InChI KeyQHNBRCSEUIFGBB-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent pentose phosphates
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • amines
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • monoalkyl phosphates
  • monosaccharides
  • organic carbonic acids and derivatives
  • organic cations
  • organic oxides
  • organic pyrophosphates
  • organic salts
  • organopnictogen compounds
  • oxacyclic compounds
  • phosphocholines
  • pyrimidones
  • secondary alcohols
  • tetraalkylammonium salts
  • tetrahydrofurans
  • vinylogous amides
  • Substituents
  • lactam
  • aromatic heteromonocyclic compound
  • pentose phosphate
  • pyrimidone
  • pyrimidine
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • organic cation
  • organic salt
  • organoheterocyclic compound
  • alcohol
  • vinylogous amide
  • carbonic acid derivative
  • tetraalkylammonium salt
  • azacycle
  • tetrahydrofuran
  • quaternary ammonium salt
  • heteroaromatic compound
  • organic pyrophosphate
  • phosphocholine
  • oxacycle
  • phosphoric acid ester
  • monoalkyl phosphate
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic phosphoric acid derivative
  • amine
  • alkyl phosphate