| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:27 UTC |
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| Update Date | 2025-03-25 00:50:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02184044 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H16N2O7S |
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| Molecular Mass | 296.0678 |
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| SMILES | NC(CCCC(=O)NC(CS(=O)O)C(=O)O)C(=O)O |
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| InChI Key | RPAKQSICQXXGCY-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkanesulfinic acids and derivativesalpha amino acidscarbonyl compoundscarboxylic acidsdelta amino acids and derivativesdicarboxylic acids and derivativeshydrocarbon derivativesmedium-chain fatty acidsmonoalkylaminesn-acyl aminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundssecondary carboxylic acid amidessulfinic acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidsulfinic acid derivativefatty amidefatty acidorganosulfur compoundsulfinic acidalkanesulfinic acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compounddelta amino acid or derivativesmedium-chain fatty acidn-acyl-alpha-amino acidcarboxamide groupn-acyl-aminesecondary carboxylic acid amideorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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