DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:00:20 UTC
Update Date	2025-03-25 00:53:48 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02202020
Frequency	0.5
Structure
Chemical Formula	C₁₅H₂₆N₄O₆S
Molecular Mass	390.1573
SMILES	CSCCC(NC(=O)C1CC(O)CN1C(=O)C(N)CCC(N)=O)C(=O)O
InChI Key	DXQGMDWNTQKYGS-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	oligopeptides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids azacyclic compounds carbonyl compounds carboxylic acids dialkylthioethers fatty amides heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids methionine and derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids n-acylpyrrolidines organic oxides organonitrogen compounds organopnictogen compounds primary carboxylic acid amides proline and derivatives pyrrolidinecarboxamides secondary alcohols secondary carboxylic acid amides short-chain hydroxy acids and derivatives sulfenyl compounds tertiary carboxylic acid amides thia fatty acids
Substituents	primary carboxylic acid amide fatty acyl carbonyl group carboxylic acid short-chain hydroxy acid heterocyclic fatty acid fatty amide n-acylpyrrolidine fatty acid alpha-amino acid or derivatives organosulfur compound organic oxide tertiary carboxylic acid amide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid pyrrolidine organoheterocyclic compound n-acyl-alpha amino acid or derivatives proline or derivatives alcohol alpha-amino acid amide sulfenyl compound azacycle n-acyl-alpha-amino acid dialkylthioether carboxamide group secondary carboxylic acid amide monocarboxylic acid or derivatives thia fatty acid pyrrolidine carboxylic acid or derivatives organic oxygen compound thioether methionine or derivatives secondary alcohol hydrocarbon derivative primary aliphatic amine alpha-oligopeptide organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound

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