| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:39:13 UTC |
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| Update Date | 2025-03-21 17:58:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00013667 |
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| Frequency | 326.3 |
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| Structure | |
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| Chemical Formula | C5H10N2O5S |
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| Molecular Mass | 210.031 |
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| SMILES | NC(CS(=O)O)C(=O)NCC(=O)O |
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| InChI Key | NLQHNCACXJBWSK-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 | alkanesulfinic acids and derivativesalpha amino acid amidesalpha amino acidscarbonyl compoundscarboxylic acidsdipeptideshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundssecondary carboxylic acid amidessulfinic acids |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidsulfinic acid derivativeorganosulfur compoundalpha peptidesulfinic acidalkanesulfinic acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalpha-amino acid amidecarboxamide groupn-acylglycinealpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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