DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:44:56 UTC
Update Date	2025-03-21 18:00:19 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00026503
Frequency	144.3
Structure
Chemical Formula	C₁₄H₂₄N₄O₇S
Molecular Mass	392.1366
SMILES	CC(C)CC(NC(=O)C(CSN=O)NC(=O)CCC(N)C(=O)O)C(=O)O
InChI Key	CMROIVOCOKWYBI-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 acyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids carbonyl compounds carboxylic acids cysteine and derivatives dicarboxylic acids and derivatives glutamine and derivatives hydrocarbon derivatives leucine and derivatives methyl-branched fatty acids monoalkylamines n-acyl amines n-acyl-alpha amino acids nitrosothiols organic oxides organopnictogen compounds secondary carboxylic acid amides sulfenyl compounds
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid glutamine or derivatives fatty amide fatty acid alpha-amino acid or derivatives organosulfur compound nitrosothiol organic oxide leucine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound organic s-nitroso compound n-acyl-alpha amino acid or derivatives organic nitroso compound methyl-branched fatty acid sulfenyl compound alpha-amino acid amide n-acyl-alpha-amino acid carboxamide group branched fatty acid n-acyl-amine n-substituted-alpha-amino acid secondary carboxylic acid amide organic oxygen compound cysteine or derivatives dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine alpha-oligopeptide organic nitrogen compound organooxygen compound nitrosothiol-group

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