DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:38:53 UTC
Update Date	2025-03-25 00:46:05 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02153191
Frequency	0.5
Structure
Chemical Formula	C₁₀H₁₄N₆O₄
Molecular Mass	282.1077
SMILES	NC(=O)CCC(NC(=O)c1ncnc(N)c1N)C(=O)O
InChI Key	MCAIBYOPYJWOAL-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	glutamine and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	2-heteroaryl carboxamides alpha amino acids amino acids azacyclic compounds carbonyl compounds carboxylic acids fatty amides heteroaromatic compounds hydrocarbon derivatives imidolactams monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds primary amines primary carboxylic acid amides pyrimidinecarboxylic acids and derivatives secondary carboxylic acid amides vinylogous amides
Substituents	primary carboxylic acid amide fatty acyl carbonyl group carboxylic acid glutamine or derivatives aromatic heteromonocyclic compound amino acid fatty amide 2-heteroaryl carboxamide pyrimidine organic oxide organonitrogen compound alpha-amino acid organopnictogen compound imidolactam organoheterocyclic compound n-acyl-alpha amino acid or derivatives vinylogous amide azacycle n-acyl-alpha-amino acid heteroaromatic compound carboxamide group secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative primary amine organic nitrogen compound pyrimidine-6-carboxylic acid or derivatives amine organooxygen compound

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