DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:39:05 UTC
Update Date	2025-03-25 00:46:10 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02153688
Frequency	0.5
Structure
Chemical Formula	C₉H₁₆N₂O₆S
Molecular Mass	280.0729
SMILES	CS(=O)(=O)N1CCCC1C(=O)NC(CO)C(=O)O
InChI Key	VJUUJBWSPJHFNJ-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	dipeptides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids azacyclic compounds beta hydroxy acids and derivatives carbonyl compounds carboxylic acids hydrocarbon derivatives monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organic sulfonamides organonitrogen compounds organopnictogen compounds organosulfonamides primary alcohols proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides serine and derivatives sulfonyls
Substituents	organosulfonic acid or derivatives carbonyl group carboxylic acid alpha-amino acid or derivatives organosulfur compound organosulfonic acid amide beta-hydroxy acid organic oxide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine primary alcohol organoheterocyclic compound n-acyl-alpha amino acid or derivatives proline or derivatives alcohol alpha-amino acid amide azacycle n-acyl-alpha-amino acid hydroxy acid carboxamide group alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives sulfonyl pyrrolidine carboxylic acid or derivatives organic oxygen compound organic sulfonic acid or derivatives hydrocarbon derivative organic nitrogen compound pyrrolidine-2-carboxamide organic sulfonic acid amide serine or derivatives organooxygen compound

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