DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:37:28 UTC
Update Date	2025-03-25 00:45:33 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02149874
Frequency	0.5
Structure
Chemical Formula	C₁₁H₁₇N₅O₃
Molecular Mass	267.1331
SMILES	CC(C)CC(NC(=O)c1cnc(N)nc1N)C(=O)O
InChI Key	DPNRCCKFBGGMOP-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	leucine and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alpha amino acids amino acids azacyclic compounds carbonyl compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives imidolactams monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds primary amines pyrimidinecarboxylic acids and derivatives secondary carboxylic acid amides vinylogous amides
Substituents	carbonyl group carboxylic acid aromatic heteromonocyclic compound amino acid pyrimidine organic oxide leucine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound imidolactam organoheterocyclic compound n-acyl-alpha amino acid or derivatives vinylogous amide azacycle n-acyl-alpha-amino acid heteroaromatic compound pyrimidine-5-carboxylic acid or derivatives carboxamide group secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative primary amine organic nitrogen compound amine organooxygen compound

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