DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:15:09 UTC
Update Date	2025-03-21 18:33:56 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00098416
Frequency	28.0
Structure
Chemical Formula	C₁₃H₂₂N₄O₈S₂
Molecular Mass	426.0879
SMILES	NC(=O)CCC(NC(CSSCC(N)C(=O)O)C(=O)NCC(=O)O)C(=O)O
InChI Key	SDGOMNAYRSAHBN-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	acyl glycines
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amino acids carbonyl compounds carboxylic acids cysteine and derivatives dialkylamines dialkyldisulfides dipeptides fatty amides glutamine and derivatives hydrocarbon derivatives monoalkylamines organic oxides organopnictogen compounds primary carboxylic acid amides secondary carboxylic acid amides sulfenyl compounds tricarboxylic acids and derivatives
Substituents	primary carboxylic acid amide fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid glutamine or derivatives amino acid fatty amide tricarboxylic acid or derivatives organosulfur compound alpha peptide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound secondary aliphatic amine sulfenyl compound alpha-amino acid amide secondary amine carboxamide group n-acylglycine alpha-dipeptide secondary carboxylic acid amide dialkyldisulfide organic oxygen compound organic disulfide cysteine or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound amine

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