| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:36:21 UTC |
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| Update Date | 2025-03-21 17:57:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00006957 |
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| Frequency | 745.8 |
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| Structure | |
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| Chemical Formula | C7H12N2O5S |
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| Molecular Mass | 236.0467 |
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| SMILES | NC(CC(=O)NC(CS)C(=O)O)C(=O)O |
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| InChI Key | JTEFQKZURQBRIV-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | peptidomimetics |
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| Subclass | hybrid peptides |
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| Direct Parent | hybrid peptides |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkylthiolsalpha amino acidsasparagine and derivativescarbonyl compoundscarboxylic acidscysteine and derivativesdicarboxylic acids and derivativesfatty acids and conjugateshydrocarbon derivativesmonoalkylaminesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty amidefatty acidalpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivativeorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundasparagine or derivativesn-acyl-alpha amino acid or derivativesn-acyl-alpha-amino acidcarboxamide groupn-acyl-aminesecondary carboxylic acid amideorganic oxygen compoundcysteine or derivativesdicarboxylic acid or derivativeshybrid peptidehydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundalkylthiolorganooxygen compound |
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