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	DMID02220262
Frequency	0.5
Structure
Chemical Formula	C₁₀H₂₁N₃O₅S₂
Molecular Mass	327.0923
SMILES	CS(=O)(=O)SCC(N)C(=O)NCCCCC(N)C(=O)O
InChI Key	YLWLLGRIMJQEIL-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	alpha amino acid amides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acids carbonyl compounds carboxylic acids cysteine and derivatives hydrocarbon derivatives medium-chain fatty acids monoalkylamines monocarboxylic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides sulfenyl compounds sulfonyls
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid fatty acid organosulfur compound organic oxide organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid sulfenyl compound alpha-amino acid amide carboxamide group secondary carboxylic acid amide monocarboxylic acid or derivatives sulfonyl organic oxygen compound cysteine or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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