| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:27 UTC |
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| Update Date | 2025-03-25 00:45:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152187 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H18N2O7S |
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| Molecular Mass | 298.0835 |
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| SMILES | NC(CC[SH](=O)(CCC(N)C(=O)O)C(=O)O)C(=O)O |
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| InChI Key | ULMHCCSAPQKAHZ-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 | alpha amino acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkylthiolscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundsthia fatty acidsthiolactones |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarbonic acid derivativecarboxylic acidfatty acidorganosulfur compoundorganic oxidethia fatty acidorganic oxygen compoundorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundthiolactonealkylthiolorganooxygen compound |
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