| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:34 UTC |
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| Update Date | 2025-03-25 00:45:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152442 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H15N3O6S |
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| Molecular Mass | 269.0682 |
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| SMILES | NC(CCCNS(=O)(=O)O)C(=O)NCC(=O)O |
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| InChI Key | CBVHGRJCYDUDSG-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 | acyl glycines |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidscarbonyl compoundscarboxylic acidsdipeptideshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfuric acid monoamides |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty amidealpha peptideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic sulfuric acid or derivativesalpha-amino acid amidecarboxamide groupn-acyl-aminen-acylglycinealpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundsulfuric acid monoamidehydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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