DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:38:19 UTC
Update Date	2025-03-25 00:45:53 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02151881
Frequency	0.5
Structure
Chemical Formula	C₁₅H₂₈N₂O₅S
Molecular Mass	348.1719
SMILES	NC(CCCCNC(=O)CCCCC1CCS(=O)(=O)C1)C(=O)O
InChI Key	IGCGQOWSZMMVHX-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 acids
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	carbonyl compounds carboxylic acids heterocyclic fatty acids hydrocarbon derivatives medium-chain fatty acids monoalkylamines monocarboxylic acids and derivatives n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides sulfones thiolanes
Substituents	thiolane fatty acyl carbonyl group carboxylic acid heterocyclic fatty acid fatty amide fatty acid organic oxide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid organoheterocyclic compound carboxamide group n-acyl-amine secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound sulfone

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