DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:22:46 UTC
Update Date	2025-03-25 01:02:02 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02253383
Frequency	0.5
Structure
Chemical Formula	C₁₂H₁₆N₆O₅
Molecular Mass	324.1182
SMILES	Nc1nc2c(CC(N)C(=O)NC(CO)C(=O)O)c[nH]c2c(=O)[nH]1
InChI Key	FHCYKCKYGHWECS-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 amino acids azacyclic compounds beta hydroxy acids and derivatives carbonyl compounds carboxylic acids fatty amides heteroaromatic compounds hydrocarbon derivatives lactams monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds primary alcohols pyrimidones pyrroles pyrrolopyrimidines secondary carboxylic acid amides serine and derivatives
Substituents	fatty acyl carbonyl group lactam carboxylic acid amino acid or derivatives amino acid fatty amide pyrimidone alpha-amino acid or derivatives pyrimidine pyrrolopyrimidine beta-hydroxy acid organic oxide aromatic heteropolycyclic compound organonitrogen compound alpha-amino acid organopnictogen compound primary alcohol organoheterocyclic compound n-acyl-alpha amino acid or derivatives alcohol alpha-amino acid amide azacycle n-acyl-alpha-amino acid heteroaromatic compound hydroxy acid carboxamide group alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound pyrrole hydrocarbon derivative primary aliphatic amine primary amine organic nitrogen compound serine or derivatives amine organooxygen compound

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