DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:29:36 UTC
Update Date	2025-03-21 18:41:14 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00133191
Frequency	18.9
Structure
Chemical Formula	C₁₆H₂₆N₄O₈S₂
Molecular Mass	466.1192
SMILES	NC(CCC(=O)NC(CSSCC(N)C(=O)O)C(=O)N1CCCC1C(=O)O)C(=O)O
InChI Key	ZTHZVHRIHAIFGO-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	oligopeptides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids azacyclic compounds carbonyl compounds carboxylic acids cysteine and derivatives dialkyldisulfides glutamine and derivatives hydrocarbon derivatives monoalkylamines n-acyl amines n-acyl-alpha amino acids n-acylpyrrolidines organic oxides organonitrogen compounds organopnictogen compounds proline and derivatives pyrrolidine carboxylic acids secondary carboxylic acid amides sulfenyl compounds tertiary carboxylic acid amides tricarboxylic acids and derivatives
Substituents	fatty acyl carbonyl group carboxylic acid glutamine or derivatives fatty amide n-acylpyrrolidine tricarboxylic acid or derivatives alpha-amino acid or derivatives organosulfur compound organic oxide pyrrolidine carboxylic acid tertiary carboxylic acid amide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine organoheterocyclic compound n-acyl-alpha amino acid or derivatives proline or derivatives sulfenyl compound alpha-amino acid amide azacycle n-acyl-alpha-amino acid carboxamide group n-acyl-amine secondary carboxylic acid amide dialkyldisulfide pyrrolidine carboxylic acid or derivatives organic oxygen compound organic disulfide cysteine or derivatives hydrocarbon derivative primary aliphatic amine alpha-oligopeptide organic nitrogen compound organooxygen compound

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