DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:57:40 UTC
Update Date	2025-03-21 18:05:22 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00056609
Frequency	56.2
Structure
Chemical Formula	C₁₁H₂₀N₄O₆S₂
Molecular Mass	368.0824
SMILES	NC(=O)C(N)CSSCC(NC(=O)CCC(N)C(=O)O)C(=O)O
InChI Key	LGGJTCOPRJGHQQ-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 dicarboxylic acids and derivatives fatty acids and conjugates glutamine and derivatives hydrocarbon derivatives monoalkylamines 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 fatty acid 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 alpha-dipeptide secondary carboxylic acid amide dialkyldisulfide organic oxygen compound organic disulfide cysteine or derivatives dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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