| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:35 UTC |
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| Update Date | 2025-03-21 18:41:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00133158 |
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| Frequency | 18.9 |
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| Structure | |
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| Chemical Formula | C10H15N3O5S |
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| Molecular Mass | 289.0732 |
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| SMILES | NC(=O)CCC(NC(=O)C1CSCC(=O)N1)C(=O)O |
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| InChI Key | JKERAYLNOYSROP-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 | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | dipeptides |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersfatty amidesglutamine and derivativesheterocyclic fatty acidshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amidessecondary carboxylic acid amidesthiomorpholines |
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| Substituents | primary carboxylic acid amidefatty acylcarbonyl grouplactamcarboxylic acidglutamine or derivativesheterocyclic fatty acidfatty amidefatty acidalpha-amino acid or derivativesorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundn-acyl-alpha amino acid or derivatives1,4-thiazinaneazacyclen-acyl-alpha-amino aciddialkylthioethercarboxamide groupalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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