DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:11:09 UTC
Update Date	2025-03-25 00:57:49 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02226956
Frequency	0.5
Structure
Chemical Formula	C₁₃H₂₀N₄O₄
Molecular Mass	296.1485
SMILES	CC(C)CC(=O)C(NC(=O)C(N)Cc1cnc[nH]1)C(=O)O
InChI Key	MCKMYOJJWSYKQH-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	dipeptides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1,3-dicarbonyl compounds alpha amino acid amides alpha amino acids amino fatty acids azacyclic compounds beta-hydroxy ketones beta-keto acids and derivatives branched fatty acids carboxylic acids fatty amides heteroaromatic compounds heterocyclic fatty acids hydrocarbon derivatives imidazoles medium-chain keto acids and derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides
Substituents	fatty acyl beta-hydroxy ketone carbonyl group carboxylic acid aromatic heteromonocyclic compound heterocyclic fatty acid fatty amide alpha-amino acid or derivatives beta-keto acid ketone organic oxide imidazole organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound azole n-acyl-alpha amino acid or derivatives alpha-amino acid amide azacycle n-acyl-alpha-amino acid heteroaromatic compound carboxamide group amino fatty acid branched fatty acid alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound keto acid hydrocarbon derivative primary aliphatic amine organic nitrogen compound 1,3-dicarbonyl compound organooxygen compound medium-chain keto acid

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