Hmdb loader

Showing information for DMID00112439

Record Information
HMDB Statusquantified
Creation Date2024-02-21 00:20:52 UTC
Update Date2025-03-21 18:36:48 UTC
HMDB IDHMDB0010169
Metabolite Identification
DeepMet IDDMID00112439
NameSM(d18:1/16:0)
Frequency23.6
Structure
Chemical FormulaC39H80N2O6P+
Molecular Mass703.5749
SMILESCCCCCCCCCCCCCC=CC(O)C(COP(=O)(O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCCCC
InChI KeyRWKUXQNLWDTSLO-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classsphingolipids
Subclass phosphosphingolipids
Direct Parent phosphosphingolipids
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • amines
  • carbonyl compounds
  • carboxylic acids and derivatives
  • dialkyl phosphates
  • hydrocarbon derivatives
  • n-acyl amines
  • organic cations
  • organic oxides
  • organic salts
  • organopnictogen compounds
  • phosphocholines
  • phosphoethanolamines
  • secondary alcohols
  • secondary carboxylic acid amides
  • tetraalkylammonium salts
    • Substituents
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • fatty amide
  • carboxylic acid derivative
  • phosphoethanolamine
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • organic cation
  • organic salt
  • alcohol
  • tetraalkylammonium salt
  • quaternary ammonium salt
  • carboxamide group
  • n-acyl-amine
  • phosphocholine
  • secondary carboxylic acid amide
  • dialkyl phosphate
  • organic oxygen compound
  • phosphoric acid ester
  • secondary alcohol
  • hydrocarbon derivative
  • sphingoid-1-phosphate or derivatives
  • organic nitrogen compound
  • organic phosphoric acid derivative
  • amine
  • alkyl phosphate
  • organooxygen compound