Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:10:49 UTC
Update Date2025-03-25 00:57:40 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02226206
Frequency0.5
Structure
Chemical FormulaC8H17N3O3
Molecular Mass203.127
SMILESCC(O)(CCCN=C(N)N)CC(=O)O
InChI KeyHKESYWGLPANEOT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classhydroxy acids and derivatives
Subclass medium-chain hydroxy acids and derivatives
Direct Parent medium-chain hydroxy acids and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • amino fatty acids
  • carbonyl compounds
  • carboximidamides
  • carboxylic acids
  • guanidines
  • hydrocarbon derivatives
  • hydroxy fatty acids
  • medium-chain fatty acids
  • methyl-branched fatty acids
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • tertiary alcohols
  • Substituents
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • guanidine
  • fatty acid
  • carboxylic acid derivative
  • medium-chain hydroxy acid
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • medium-chain fatty acid
  • hydroxy fatty acid
  • alcohol
  • methyl-branched fatty acid
  • organic 1,3-dipolar compound
  • carboximidamide
  • amino fatty acid
  • branched fatty acid
  • tertiary alcohol
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound