| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:04 UTC |
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| Update Date | 2025-03-25 00:46:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02158143 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H14N2O6S |
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| Molecular Mass | 266.0573 |
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| SMILES | O=C(O)CNC(=O)C(NCC(=O)O)C(O)CS |
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| InChI Key | PBQGRZSURKZKIH-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 | alkylthiolsalpha amino acid amidesalpha amino acidsamino acidscarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativesdipeptideshydrocarbon derivativesn-acyl aminesorganic oxidesorganopnictogen compoundsorganosulfur compoundssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidamino acidfatty amideorganosulfur compoundalpha peptideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalcoholsecondary aliphatic aminealpha-amino acid amidesecondary aminecarboxamide groupn-acyl-aminen-acylglycinealpha-dipeptidesecondary carboxylic acid amideorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundalkylthiolorganooxygen compoundamine |
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