Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:37:08 UTC
Update Date2025-03-25 00:45:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02149079
Frequency0.5
Structure
Chemical FormulaC11H22N4O3
Molecular Mass258.1692
SMILESCC(C)CC(NC(=N)CCCNC(N)=O)C(=O)O
InChI KeyNYUIORSVMJVNAU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent leucine and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alpha amino acids
  • amidines
  • carbonyl compounds
  • carboximidamides
  • carboxylic acids
  • hydrocarbon derivatives
  • methyl-branched fatty acids
  • monocarboxylic acids and derivatives
  • organic carbonic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • Substituents
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • carbonic acid derivative
  • carboxylic acid
  • methyl-branched fatty acid
  • fatty acid
  • amidine
  • carboximidamide
  • branched fatty acid
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • leucine or derivatives
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound