DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:38:18 UTC
Update Date	2025-03-25 00:45:53 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02151841
Frequency	0.5
Structure
Chemical Formula	C₁₃H₂₀N₄O₇S
Molecular Mass	376.1053
SMILES	NC(CCC(=O)NC(CSN=O)C(=O)O)C(=O)N1CCCC1C(=O)O
InChI Key	JZVOSDPLCZUMGG-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 heteromonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids azacyclic compounds carbonyl compounds carboxylic acids cysteine and derivatives dicarboxylic acids and derivatives hydrocarbon derivatives monoalkylamines n-acyl amines n-acyl-alpha amino acids n-acylpyrrolidines nitrosothiols organic oxides organopnictogen compounds proline and derivatives pyrrolidine carboxylic acids secondary carboxylic acid amides sulfenyl compounds tertiary carboxylic acid amides
Substituents	fatty acyl carbonyl group carboxylic acid fatty amide n-acylpyrrolidine alpha-amino acid or derivatives organosulfur compound nitrosothiol organic oxide pyrrolidine carboxylic acid tertiary carboxylic acid amide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine organoheterocyclic compound organic s-nitroso compound n-acyl-alpha amino acid or derivatives proline or derivatives organic nitroso compound sulfenyl compound alpha-amino acid amide azacycle n-acyl-alpha-amino acid carboxamide group n-acyl-amine alpha-dipeptide secondary carboxylic acid amide pyrrolidine carboxylic acid or derivatives organic oxygen compound cysteine or derivatives dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound nitrosothiol-group

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