DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:02:05 UTC
Update Date	2025-03-25 00:54:23 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02205999
Frequency	0.5
Structure
Chemical Formula	C₁₃H₂₁N₃O₆S
Molecular Mass	347.1151
SMILES	NC(CCC(=O)N1CCCC1C(=O)NC(CS)C(=O)O)C(=O)O
InChI Key	MHYKKTJJRICKNT-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	alkylthiols alpha amino acid amides alpha amino acids azacyclic compounds carbonyl compounds carboxylic acids cysteine and derivatives dicarboxylic acids and derivatives glutamine and derivatives heterocyclic fatty acids hydrocarbon derivatives monoalkylamines n-acyl-alpha amino acids n-acylpyrrolidines organic oxides organonitrogen compounds organopnictogen compounds organosulfur compounds proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides tertiary carboxylic acid amides
Substituents	fatty acyl carbonyl group carboxylic acid glutamine or derivatives heterocyclic fatty acid 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 pyrrolidine organoheterocyclic compound n-acyl-alpha amino acid or derivatives proline or derivatives alpha-amino acid amide azacycle n-acyl-alpha-amino acid carboxamide group secondary carboxylic acid amide pyrrolidine carboxylic acid or derivatives organic oxygen compound cysteine or derivatives dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine alpha-oligopeptide organic nitrogen compound pyrrolidine-2-carboxamide alkylthiol organooxygen compound

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