DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:02:02 UTC
Update Date	2025-03-25 00:54:22 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02205879
Frequency	0.5
Structure
Chemical Formula	C₉H₁₅N₃O₉S₂
Molecular Mass	373.025
SMILES	NC(CC(=O)O)C(=O)NC(CSS(=O)(=O)O)C(=O)NCC(=O)O
InChI Key	UHONQIYUXGTFRN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
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 dicarboxylic acids and derivatives fatty acids and conjugates hydrocarbon derivatives monoalkylamines n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds peptides s-alkyl thiosulfates secondary carboxylic acid amides sulfenyl compounds
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid fatty amide fatty acid alpha-amino acid or derivatives organosulfur compound carboxylic acid derivative alpha peptide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives polypeptide sulfenyl compound alpha-amino acid amide n-acyl-alpha-amino acid carboxamide group n-acyl-amine n-acylglycine n-substituted-alpha-amino acid s-alkyl thiosulfate secondary carboxylic acid amide organic oxygen compound cysteine or derivatives aspartic acid or derivatives dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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