| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:14 UTC |
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| Update Date | 2025-03-25 00:54:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02208684 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H14N2O5S2 |
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| Molecular Mass | 294.0344 |
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| SMILES | CC(=O)SCCNC(=S)NC(CC(=O)O)C(=O)O |
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| InChI Key | NKGBSPNMLZXMLF-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 | aspartic acid and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarbothioic s-esterscarboxylic acidsdicarboxylic acids and derivativesfatty acids and conjugateshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compoundsthioestersthiolactonesthioureas |
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| Substituents | aliphatic acyclic compoundthiocarboxylic acid or derivativescarbonyl groupthioureacarboxylic acidsulfenyl compoundthiocarboxylic acid esterfatty acidorganosulfur compoundcarbothioic s-esterorganic oxideorganic oxygen compoundaspartic acid or derivativesorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundthiolactoneorganooxygen compound |
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