DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:17:06 UTC
Update Date	2025-03-25 00:59:57 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02240321
Frequency	0.5
Structure
Chemical Formula	C₁₅H₁₈N₄O₄
Molecular Mass	318.1328
SMILES	NC(Cc1c[nH]c2ccncc12)C(=O)N1CC(O)CC1C(=O)O
InChI Key	XTSSEXPOHSKDLM-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 heteropolycyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids azacyclic compounds carbonyl compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives hydroxypyridines monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids n-acylpyrrolidines organic oxides organonitrogen compounds organopnictogen compounds polyhalopyridines proline and derivatives pyrroles pyrrolidine carboxylic acids pyrrolopyridines secondary alcohols tertiary carboxylic acid amides
Substituents	carbonyl group carboxylic acid polyhalopyridine n-acylpyrrolidine alpha-amino acid or derivatives organic oxide aromatic heteropolycyclic compound pyrrolidine carboxylic acid tertiary carboxylic acid amide organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine organoheterocyclic compound n-acyl-alpha amino acid or derivatives proline or derivatives alcohol alpha-amino acid amide azacycle pyrrolopyridine n-acyl-alpha-amino acid heteroaromatic compound hydroxypyridine carboxamide group alpha-dipeptide monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives pyridine organic oxygen compound pyrrole secondary alcohol hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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