| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:13:07 UTC |
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| Update Date | 2025-03-21 18:32:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00093525 |
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| Frequency | 29.8 |
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| Structure | |
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| Chemical Formula | C6H11NO4S |
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| Molecular Mass | 193.0409 |
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| SMILES | O=C(O)CCNC(=O)C(O)CS |
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| InChI Key | KCBUNYDIBRALHO-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 | beta amino acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkylthiolscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | alcoholaliphatic acyclic compoundcarbonyl groupcarboxylic acidmonosaccharideorganosulfur compoundcarboxamide groupbeta amino acid or derivativessecondary carboxylic acid amidesaccharideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundalkylthiolorganooxygen compound |
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