DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:38:18 UTC
Update Date	2025-03-25 00:45:52 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02151819
Frequency	0.5
Structure
Chemical Formula	C₁₆H₂₆N₄O₈S₂
Molecular Mass	466.1192
SMILES	NC(CCC(=O)NC(CSSCC(NC(=O)C1CCCN1)C(=O)O)C(=O)O)C(=O)O
InChI Key	DBFQKMMIPFBQAS-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 heteromonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amino acids azacyclic compounds carbonyl compounds carboxylic acids cysteine and derivatives dialkylamines dialkyldisulfides glutamine and derivatives hydrocarbon derivatives monoalkylamines n-acyl amines n-acyl-alpha amino acids organic oxides organopnictogen compounds proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides sulfenyl compounds tricarboxylic acids and derivatives
Substituents	fatty acyl carbonyl group carboxylic acid glutamine or derivatives amino acid or derivatives amino acid fatty amide tricarboxylic acid or derivatives alpha-amino acid or derivatives organosulfur compound organic oxide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine organoheterocyclic compound n-acyl-alpha amino acid or derivatives proline or derivatives secondary aliphatic amine alpha-amino acid amide sulfenyl compound azacycle n-acyl-alpha-amino acid secondary amine carboxamide group n-acyl-amine alpha-dipeptide secondary carboxylic acid amide dialkyldisulfide pyrrolidine carboxylic acid or derivatives organic oxygen compound organic disulfide cysteine or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound amine

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