| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:53 UTC |
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| Update Date | 2025-03-25 00:46:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153216 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H15N3O5S2 |
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| Molecular Mass | 321.0453 |
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| SMILES | NC(=O)CCC1NC(=O)CSSCC(C(=O)O)NC1=O |
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| InChI Key | ZKWMHVDZIBBBMY-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 acidsfatty amideshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesorganic disulfidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amidessecondary carboxylic acid amides |
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| Substituents | primary carboxylic acid amidefatty acylcarbonyl grouplactamcarboxylic acidfatty amidealpha-amino acid or derivativesorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazacyclecarboxamide groupalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundorganic disulfidehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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