DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:06:06 UTC
Update Date	2025-03-21 18:29:19 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00076794
Frequency	38.3
Structure
Chemical Formula	C₈H₁₂N₆O₃
Molecular Mass	240.0971
SMILES	Nc1ncnc(N)c1NC(=O)CC(N)C(=O)O
InChI Key	XMVJSRWDVJWNCQ-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	asparagine and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alpha amino acids amino acids azacyclic compounds carbonyl compounds carboxylic acids fatty amides heteroaromatic compounds hydrocarbon derivatives imidolactams monoalkylamines monocarboxylic acids and derivatives n-arylamides organic oxides organopnictogen compounds pyrimidines and pyrimidine derivatives secondary carboxylic acid amides
Substituents	fatty acyl carbonyl group carboxylic acid aromatic heteromonocyclic compound amino acid fatty amide n-arylamide pyrimidine organic oxide organonitrogen compound alpha-amino acid organopnictogen compound asparagine or derivatives imidolactam organoheterocyclic compound azacycle heteroaromatic compound carboxamide group secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative primary aliphatic amine primary amine organic nitrogen compound amine organooxygen compound

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