DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:13:06 UTC
Update Date	2025-03-25 00:58:31 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02231228
Frequency	0.5
Structure
Chemical Formula	C₉H₂₁N₂O₄S+
Molecular Mass	253.1217
SMILES	CCN(CC(=O)O)S(=O)(=O)CC[N+](C)(C)C
InChI Key	AGUQLRAENFIFSO-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 acids
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	amines aminosulfonyl compounds carbonyl compounds carboxylic acids hydrocarbon derivatives monocarboxylic acids and derivatives organic cations organic oxides organic salts organic sulfonamides organopnictogen compounds organosulfonamides tetraalkylammonium salts
Substituents	aliphatic acyclic compound organosulfonic acid or derivatives carbonyl group carboxylic acid organosulfur compound organosulfonic acid amide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organic cation organic salt tetraalkylammonium salt aminosulfonyl compound quaternary ammonium salt monocarboxylic acid or derivatives sulfonyl organic oxygen compound organic sulfonic acid or derivatives hydrocarbon derivative organic nitrogen compound organic sulfonic acid amide amine organooxygen compound

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