DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:35:26 UTC
Update Date	2025-03-21 17:56:59 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00004865
Frequency	1145.5
Structure
Chemical Formula	C₁₀H₁₆N₂O₄S
Molecular Mass	260.0831
SMILES	CSCCC(NC(=O)C1CCC(=O)N1)C(=O)O
InChI Key	FKWGLFXEKQAERS-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	dipeptides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids azacyclic compounds carbonyl compounds carboxylic acids dialkylthioethers heterocyclic fatty acids hydrocarbon derivatives lactams methionine and derivatives monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds proline and derivatives pyrrolidine-2-ones pyrrolidinecarboxamides secondary carboxylic acid amides sulfenyl compounds thia fatty acids
Substituents	fatty acyl 2-pyrrolidone carbonyl group lactam carboxylic acid heterocyclic fatty acid fatty acid alpha-amino acid or derivatives organosulfur compound organic oxide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine pyrrolidone organoheterocyclic compound n-acyl-alpha amino acid or derivatives proline or derivatives alpha-amino acid amide sulfenyl compound azacycle n-acyl-alpha-amino acid dialkylthioether carboxamide group alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives thia fatty acid pyrrolidine carboxylic acid or derivatives organic oxygen compound thioether methionine or derivatives hydrocarbon derivative organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound

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