DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:42:36 UTC
Update Date	2025-03-25 00:47:24 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02161505
Frequency	0.5
Structure
Chemical Formula	C₁₂H₁₈N₄O₄
Molecular Mass	282.1328
SMILES	NCc1[nH]ccc1CC(=O)NC(CCC(N)=O)C(=O)O
InChI Key	XYUUYOORQAMTOB-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	alpha amino acids azacyclic compounds carbonyl compounds carboxylic acids fatty amides heteroaromatic compounds hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds primary carboxylic acid amides pyrroles secondary carboxylic acid amides
Substituents	primary carboxylic acid amide fatty acyl carbonyl group carboxylic acid glutamine or derivatives aromatic heteromonocyclic compound fatty amide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound n-acyl-alpha amino acid or derivatives azacycle n-acyl-alpha-amino acid heteroaromatic compound carboxamide group secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound pyrrole hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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