DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:08:10 UTC
Update Date	2025-03-25 00:56:43 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02220267
Frequency	0.5
Structure
Chemical Formula	C₈H₁₄N₂O₇S
Molecular Mass	282.0522
SMILES	CS(=O)(=O)N(CC(=O)O)C(=O)CCC(N)C(=O)O
InChI Key	ROTGISVQTHVTDE-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 acyclic compounds
Alternative Parents	alpha amino acids aminosulfonyl compounds carbonyl compounds carboxylic acids dicarboxylic acids and derivatives fatty acids and conjugates glutamine and derivatives hydrocarbon derivatives monoalkylamines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds organosulfonic acids and derivatives
Substituents	aliphatic acyclic compound organosulfonic acid or derivatives carbonyl group carboxylic acid glutamine or derivatives fatty acid alpha-amino acid or derivatives organosulfur compound organic oxide organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives aminosulfonyl compound n-acyl-alpha-amino acid alpha-dipeptide sulfonyl organic oxygen compound organic sulfonic acid or derivatives dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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