DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:59:53 UTC
Update Date	2025-03-21 18:06:14 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00061961
Frequency	50.2
Structure
Chemical Formula	C₁₇H₂₇N₅O₁₁S₂
Molecular Mass	541.1148
SMILES	NC(CCC(=O)NC(CSSCC(NC(=O)C(N)CC(=O)O)C(=O)O)C(=O)NCC(=O)O)C(=O)O
InChI Key	WGBZSAFDLSBCFH-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 acyclic compounds
Alternative Parents	acyl glycines alpha amino acid amides alpha amino acids aspartic acid and derivatives carbonyl compounds carboxylic acids cysteine and derivatives dialkyldisulfides glutamine and derivatives hydrocarbon derivatives monoalkylamines n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides sulfenyl compounds tetracarboxylic acids and derivatives
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid glutamine or derivatives fatty amide 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 alpha-amino acid amide n-acyl-alpha-amino acid tetracarboxylic acid or derivatives carboxamide group n-acyl-amine n-acylglycine n-substituted-alpha-amino acid secondary carboxylic acid amide dialkyldisulfide organic oxygen compound organic disulfide cysteine or derivatives aspartic acid or derivatives hydrocarbon derivative primary aliphatic amine alpha-oligopeptide organic nitrogen compound organooxygen compound

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