DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:23:01 UTC
Update Date	2025-03-25 01:02:08 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02253917
Frequency	0.5
Structure
Chemical Formula	C₁₂H₂₄N₂O₃S
Molecular Mass	276.1508
SMILES	CC(C)CC(S)C(=O)NC(CCCCN)C(=O)O
InChI Key	YLPBLNBFKKEGHS-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	n-acyl-alpha amino acids
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alkylthiols alpha amino acids branched fatty acids carbonyl compounds carboxylic acids hydrocarbon derivatives medium-chain fatty acids monoalkylamines monocarboxylic acids and derivatives n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds organosulfur compounds secondary carboxylic acid amides thia fatty acids
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid fatty amide fatty acid organosulfur compound organic oxide organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid n-acyl-alpha-amino acid carboxamide group branched fatty acid n-acyl-amine secondary carboxylic acid amide monocarboxylic acid or derivatives thia fatty acid organic oxygen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound alkylthiol organooxygen compound

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