DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:38:38 UTC
Update Date	2025-03-25 00:45:59 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02152591
Frequency	0.5
Structure
Chemical Formula	C₁₁H₂₀N₄O₆S₃
Molecular Mass	400.0545
SMILES	NC(=O)C(CSSSCC(N)C(=O)O)NC(=O)CCC(N)C(=O)O
InChI Key	ZRHGAJBHSDIBNY-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 dicarboxylic acids and derivatives fatty acids and conjugates glutamine and derivatives hydrocarbon derivatives monoalkylamines n-acyl amines n-acyl-alpha amino acids organic oxides organic trisulfides 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 organic trisulfide 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 n-substituted-alpha-amino acid alpha-dipeptide secondary carboxylic acid amide organic oxygen compound cysteine or derivatives dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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