Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:03:45 UTC
Update Date2025-03-25 00:54:59 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02209922
Frequency0.5
Structure
Chemical FormulaC8H17NO3
Molecular Mass175.1208
SMILESCC(O)CNCCCCC(=O)O
InChI KeyWVAWTRCCZLXDTL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent delta amino acids and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • amino acids
  • carbonyl compounds
  • carboxylic acids
  • dialkylamines
  • hydrocarbon derivatives
  • hydroxy fatty acids
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • secondary alcohols
  • short-chain hydroxy acids and derivatives
  • Substituents
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • short-chain hydroxy acid
  • amino acid
  • fatty acid
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • delta amino acid or derivatives
  • hydroxy fatty acid
  • alcohol
  • secondary aliphatic amine
  • secondary amine
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • amine