Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:26:43 UTC
Update Date2025-03-21 18:39:34 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00126378
Frequency20.3
Structure
Chemical FormulaC27H46O2
Molecular Mass402.3498
SMILESCCCCCCC=CCCCCCCCCCC(=O)OC1CCC2(C)CC=C2C1
InChI KeyZIILSLMSHZAVPO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classfatty acyls
Subclass fatty acid esters
Direct Parent fatty acid esters
Geometric Descriptor aliphatic homopolycyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • Substituents
  • fatty acid ester
  • carbonyl group
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • hydrocarbon derivative
  • carboxylic acid derivative
  • organooxygen compound
  • aliphatic homopolycyclic compound