DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:40:04 UTC
Update Date	2025-03-25 00:46:34 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02155953
Frequency	0.5
Structure
Chemical Formula	C₈H₁₉N₂O₄S+
Molecular Mass	239.106
SMILES	C[N+](C)(C)CC(=O)NCCCS(=O)(=O)O
InChI Key	GHUQRJFSBMVCOI-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	alpha amino acid amides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acids amines carbonyl compounds carboxylic acids and derivatives hydrocarbon derivatives organic cations organic oxides organic salts organopnictogen compounds organosulfonic acids secondary carboxylic acid amides sulfonyls tetraalkylammonium salts
Substituents	aliphatic acyclic compound organosulfonic acid or derivatives carbonyl group organosulfonic acid organosulfur compound organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organic cation organic salt alpha-amino acid amide tetraalkylammonium salt quaternary ammonium salt carboxamide group secondary carboxylic acid amide sulfonyl organic oxygen compound organic sulfonic acid or derivatives hydrocarbon derivative organic nitrogen compound amine organooxygen compound

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