DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:52:55 UTC
Update Date	2025-03-25 00:51:10 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02185134
Frequency	0.5
Structure
Chemical Formula	C₁₅H₂₃N₅O₆S
Molecular Mass	401.1369
SMILES	NC(=O)CCC(NC(=O)CNC(=O)CCC1SCC2NC(=O)NC21)C(=O)O
InChI Key	UYIUDIGKBSEMAR-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 organic carbonic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds primary carboxylic acid amides secondary 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 fatty acid alpha-amino acid or derivatives thiophene aliphatic heteropolycyclic compound imidazolidinone organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound n-acyl-alpha amino acid or derivatives carbonic acid derivative alpha-amino acid amide azacycle n-acyl-alpha-amino acid dialkylthioether thienoimidazolidine carboxamide group n-substituted-alpha-amino acid alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound thioether hydrocarbon derivative organic nitrogen compound organooxygen compound

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