DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:38:17 UTC
Update Date	2025-03-25 00:45:52 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02151803
Frequency	0.5
Structure
Chemical Formula	C₁₁H₁₇N₃O₈
Molecular Mass	319.1016
SMILES	NC(CCC(=O)NC(=O)CNC(CC(=O)O)C(=O)O)C(=O)O
InChI Key	CHOQKYWECLRKPG-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 acyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amino acids aspartic acid and derivatives carbonyl compounds carboxylic acids dialkylamines dicarboximides hydrocarbon derivatives monoalkylamines n-acyl amines n-unsubstituted carboxylic acid imides organic oxides organopnictogen compounds tricarboxylic acids and derivatives
Substituents	aliphatic acyclic compound carbonyl group carboxylic acid glutamine or derivatives amino acid tricarboxylic acid or derivatives carboxylic acid imide, n-unsubstituted organic oxide organonitrogen compound alpha-amino acid organopnictogen compound dicarboximide secondary aliphatic amine alpha-amino acid amide secondary amine n-acyl-amine carboxylic acid imide organic oxygen compound aspartic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound amine

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