DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:35:00 UTC
Update Date	2025-03-21 17:56:49 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00003869
Frequency	1516.9
Structure
Chemical Formula	C₉H₁₈N₂O₃S
Molecular Mass	234.1038
SMILES	CSCCC(NC(=O)CCCN)C(=O)O
InChI Key	IDXPLSBSBYGMOH-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	methionine and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acids carbonyl compounds carboxylic acids dialkylthioethers gamma amino acids and derivatives hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides sulfenyl compounds thia fatty acids
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid gamma amino acid or derivatives fatty amide fatty acid organosulfur compound organic oxide organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives sulfenyl compound n-acyl-alpha-amino acid dialkylthioether carboxamide group n-acyl-amine secondary carboxylic acid amide monocarboxylic acid or derivatives thia fatty acid organic oxygen compound thioether methionine or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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