DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:38:54 UTC
Update Date	2025-03-25 00:46:06 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02153253
Frequency	0.5
Structure
Chemical Formula	C₁₈H₂₇N₅O₆S
Molecular Mass	441.1682
SMILES	NC(=O)CCC(NC(=O)C1CCCN1C(=O)CCC1SCC2NC(=O)NC21)C(=O)O
InChI Key	YRGFTVWZDULDRZ-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 heteropolycyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids azacyclic compounds carbonyl compounds carboxylic acids dialkylthioethers fatty amides glutamine and derivatives heterocyclic fatty acids hydrocarbon derivatives imidazolidinones monocarboxylic acids and derivatives n-acyl-alpha amino acids n-acylpyrrolidines organic carbonic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds primary carboxylic acid amides proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides tertiary carboxylic acid amides thienoimidazolidines thiolanes thiophenes
Substituents	thiolane imidazolidine primary carboxylic acid amide fatty acyl carbonyl group carboxylic acid glutamine or derivatives heterocyclic fatty acid fatty amide n-acylpyrrolidine fatty acid alpha-amino acid or derivatives thiophene aliphatic heteropolycyclic compound imidazolidinone organic oxide tertiary carboxylic acid amide organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine organoheterocyclic compound n-acyl-alpha amino acid or derivatives proline or derivatives carbonic acid derivative alpha-amino acid amide azacycle n-acyl-alpha-amino acid dialkylthioether thienoimidazolidine carboxamide group alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives organic oxygen compound thioether hydrocarbon derivative organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound

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