DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:38:37 UTC
Update Date	2025-03-25 00:45:59 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02152584
Frequency	0.5
Structure
Chemical Formula	C₁₁H₂₁N₅O₅S₂
Molecular Mass	367.0984
SMILES	NC(=O)C(N)CCC(=O)NC(CSSCC(N)C(=O)O)C(N)=O
InChI Key	JULPLDPOFNVXAQ-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 acyclic compounds
Alternative Parents	alpha amino acids carbonyl compounds carboxylic acids cysteine and derivatives dialkyldisulfides glutamine and derivatives hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds primary carboxylic acid amides secondary carboxylic acid amides sulfenyl compounds
Substituents	primary carboxylic acid amide fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid glutamine or derivatives fatty amide alpha-amino acid or derivatives organosulfur compound organic oxide organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives sulfenyl compound n-acyl-alpha-amino acid carboxamide group n-acyl-amine n-substituted-alpha-amino acid alpha-dipeptide secondary carboxylic acid amide dialkyldisulfide monocarboxylic acid or derivatives organic oxygen compound organic disulfide cysteine or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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