DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:07:05 UTC
Update Date	2025-03-25 00:56:20 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02217734
Frequency	0.5
Structure
Chemical Formula	C₁₀H₁₇N₃O₅
Molecular Mass	259.1168
SMILES	NC(CCC(=O)NC1CNC(C(=O)O)C1)C(=O)O
InChI Key	BIRKPYBIGFPHHL-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	aliphatic heteromonocyclic compounds
Alternative Parents	alpha amino acids amino acids azacyclic compounds carbonyl compounds carboxylic acids dialkylamines dicarboxylic acids and derivatives heterocyclic fatty acids hydrocarbon derivatives monoalkylamines n-acyl amines organic oxides organopnictogen compounds proline and derivatives pyrrolidine carboxylic acids secondary carboxylic acid amides
Substituents	fatty acyl carbonyl group carboxylic acid glutamine or derivatives amino acid heterocyclic fatty acid fatty amide fatty acid organic oxide pyrrolidine carboxylic acid aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine organoheterocyclic compound proline or derivatives secondary aliphatic amine azacycle secondary amine carboxamide group n-acyl-amine secondary carboxylic acid amide pyrrolidine carboxylic acid or derivatives organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound amine

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