DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:08:08 UTC
Update Date	2025-03-25 00:56:42 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02220166
Frequency	0.5
Structure
Chemical Formula	C₈H₁₈N₂O₂S
Molecular Mass	206.1089
SMILES	CSCCC(N)C(N)CCC(=O)O
InChI Key	WZRURLMEHNIHNK-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	delta amino acids and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	carbonyl compounds carboxylic acids dialkylthioethers gamma amino acids and derivatives hydrocarbon derivatives medium-chain fatty acids monoalkylamines monocarboxylic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds sulfenyl compounds thia fatty acids
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid sulfenyl compound gamma amino acid or derivatives dialkylthioether fatty acid organosulfur compound organic oxide monocarboxylic acid or derivatives thia fatty acid organic oxygen compound thioether organonitrogen compound organopnictogen compound delta amino acid or derivatives hydrocarbon derivative medium-chain fatty acid primary aliphatic amine organic nitrogen compound organooxygen compound

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