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	DMID02151793
Frequency	0.5
Structure
Chemical Formula	C₁₃H₂₀N₂O₈S
Molecular Mass	364.094
SMILES	NC(CCC(=O)NC(CCC(=O)O)CSCC(=O)C(=O)O)C(=O)O
InChI Key	RBBBGEGYAGFSQW-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 acids alpha-hydroxy ketones alpha-keto acids and derivatives carboxylic acids dialkylthioethers gamma amino acids and derivatives hydrocarbon derivatives monoalkylamines n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides sulfenyl compounds tricarboxylic acids and derivatives
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid glutamine or derivatives gamma amino acid or derivatives fatty amide tricarboxylic acid or derivatives organosulfur compound alpha-hydroxy ketone ketone organic oxide organonitrogen compound alpha-keto acid alpha-amino acid organopnictogen compound sulfenyl compound dialkylthioether carboxamide group n-acyl-amine secondary carboxylic acid amide organic oxygen compound thioether keto acid hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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