DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:00:20 UTC
Update Date	2025-03-25 00:53:47 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02201999
Frequency	0.5
Structure
Chemical Formula	C₁₂H₂₆N₃O₃S+
Molecular Mass	292.1689
SMILES	CSCCC(N)C(=O)NC(C(=O)O)C(C)[N+](C)(C)C
InChI Key	WWNVQZMCOAYDFO-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	dipeptides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amines carbonyl compounds carboxylic acids dialkylthioethers fatty acids and conjugates hydrocarbon derivatives methionine and derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic cations organic oxides organic salts organopnictogen compounds secondary carboxylic acid amides sulfenyl compounds tetraalkylammonium salts
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid fatty amide fatty acid alpha-amino acid or derivatives organosulfur compound organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organic cation organic salt n-acyl-alpha amino acid or derivatives sulfenyl compound alpha-amino acid amide tetraalkylammonium salt n-acyl-alpha-amino acid dialkylthioether quaternary ammonium salt carboxamide group n-acyl-amine alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound thioether methionine or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound amine organooxygen compound

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