DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:02:06 UTC
Update Date	2025-03-21 18:07:06 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00067176
Frequency	45.3
Structure
Chemical Formula	C₇H₁₂N₂O₈S
Molecular Mass	284.0314
SMILES	NC(CCC(=O)NCC(=O)OS(=O)(=O)O)C(=O)O
InChI Key	YEWOWMFLVMUUFC-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	acyl glycines
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acids carbonyl compounds carboxylic acids dicarboxylic acids and derivatives fatty acids and conjugates glutamine and derivatives hydrocarbon derivatives monoalkylamines n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides sulfuric acid monoesters
Substituents	fatty acyl aliphatic acyclic compound sulfuric acid monoester carbonyl group carboxylic acid glutamine or derivatives fatty amide fatty acid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organic sulfuric acid or derivatives carboxamide group n-acyl-amine n-acylglycine secondary carboxylic acid amide organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound sulfuric acid ester organooxygen compound

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