DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:44:17 UTC
Update Date	2025-03-25 00:47:59 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02165396
Frequency	0.5
Structure
Chemical Formula	C₁₂H₂₀N₂O₅S
Molecular Mass	304.1093
SMILES	CCC(=O)C(NC(=O)C(CCSC)NC(C)=O)C(=O)O
InChI Key	OJXBALJWYSZKAX-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 acyclic compounds
Alternative Parents	1,3-dicarbonyl compounds acetamides alpha amino acid amides alpha amino acids beta-hydroxy ketones beta-keto acids and derivatives carboxylic acids dialkylthioethers hydrocarbon derivatives methionine and derivatives methyl-branched fatty acids monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides short-chain keto acids and derivatives sulfenyl compounds
Substituents	fatty acyl beta-hydroxy ketone aliphatic acyclic compound carbonyl group carboxylic acid fatty amide short-chain keto acid alpha-amino acid or derivatives organosulfur compound beta-keto acid ketone organic oxide organonitrogen compound alpha-amino acid organopnictogen compound acetamide n-acyl-alpha amino acid or derivatives methyl-branched fatty acid sulfenyl compound alpha-amino acid amide n-acyl-alpha-amino acid dialkylthioether carboxamide group branched fatty acid n-acyl-amine n-substituted-alpha-amino acid alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound thioether keto acid methionine or derivatives hydrocarbon derivative organic nitrogen compound 1,3-dicarbonyl compound organooxygen compound

Showing information for DMID02165396