DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:45:32 UTC
Update Date	2025-03-25 00:48:26 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02168232
Frequency	0.5
Structure
Chemical Formula	C₁₃H₁₈N₄O₅
Molecular Mass	310.1277
SMILES	CC(C)c1ncc(C(=O)NC(CCC(=O)O)C(=O)O)c(N)n1
InChI Key	ADDQPOGMFWPIJO-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	glutamic acid and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alpha amino acids amino acids azacyclic compounds carbonyl compounds carboxylic acids dicarboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives imidolactams n-acyl-alpha amino acids organic oxides organopnictogen compounds primary amines pyrimidinecarboxylic acids and derivatives secondary carboxylic acid amides vinylogous amides
Substituents	carbonyl group carboxylic acid aromatic heteromonocyclic compound amino acid 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 pyrimidine-5-carboxylic acid or derivatives glutamic acid or derivatives carboxamide group secondary carboxylic acid amide organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative primary amine organic nitrogen compound amine organooxygen compound

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