DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:45:53 UTC
Update Date	2025-03-25 00:48:35 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02169032
Frequency	0.5
Structure
Chemical Formula	C₁₂H₂₄N₄O₃
Molecular Mass	272.1848
SMILES	CC(C)CC(N)C(O)=NC(C)C(=O)NCCC(N)=O
InChI Key	JUEPQPOOPLELHM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	alpha amino acid amides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alanine and derivatives alpha amino acids beta amino acids and derivatives carbonyl compounds carboximidic acids carboxylic acids and derivatives hydrocarbon derivatives monoalkylamines organic oxides organonitrogen compounds organopnictogen compounds primary carboxylic acid amides propargyl-type 1,3-dipolar organic compounds secondary carboxylic acid amides
Substituents	primary carboxylic acid amide aliphatic acyclic compound carboximidic acid carbonyl group alpha-amino acid amide organic 1,3-dipolar compound carboxamide group beta amino acid or derivatives propargyl-type 1,3-dipolar organic compound secondary carboxylic acid amide organic oxide organic oxygen compound organonitrogen compound alpha-amino acid organopnictogen compound alanine or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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