DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:53:34 UTC
Update Date	2025-03-21 18:03:53 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00047131
Frequency	70.7
Structure
Chemical Formula	C₁₁H₁₇N₅O₄
Molecular Mass	283.1281
SMILES	Cn1cncc1CC(NC(=O)C(N)CC(N)=O)C(=O)O
InChI Key	YQMMEKLEGVCERL-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	alpha amino acid amides alpha amino acids asparagine and derivatives azacyclic compounds carbonyl compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives imidazoles monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids n-substituted imidazoles organic oxides organonitrogen compounds organopnictogen compounds primary carboxylic acid amides secondary carboxylic acid amides
Substituents	primary carboxylic acid amide fatty acyl carbonyl group carboxylic acid aromatic heteromonocyclic compound fatty amide alpha-amino acid or derivatives organic oxide imidazole organonitrogen compound alpha-amino acid organopnictogen compound asparagine or derivatives organoheterocyclic compound azole n-substituted imidazole n-acyl-alpha amino acid or derivatives alpha-amino acid amide azacycle n-acyl-alpha-amino acid heteroaromatic compound carboxamide group n-acyl-amine alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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