DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:01:57 UTC
Update Date	2025-03-25 00:54:21 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02205718
Frequency	0.5
Structure
Chemical Formula	C₅H₁₂N₂O₄S
Molecular Mass	196.0518
SMILES	NCCCC(=O)NCS(=O)(=O)O
InChI Key	NNTCQJNSFKGBAO-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	gamma amino acids and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	carbonyl compounds carboxylic acids and derivatives hydrocarbon derivatives monoalkylamines n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds organosulfonic acids secondary carboxylic acid amides sulfonyls
Substituents	fatty acyl aliphatic acyclic compound organosulfonic acid or derivatives carbonyl group gamma amino acid or derivatives organosulfonic acid fatty amide organosulfur compound carboxamide group n-acyl-amine secondary carboxylic acid amide organic oxide sulfonyl organic oxygen compound organic sulfonic acid or derivatives organonitrogen compound organopnictogen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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