| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:53 UTC |
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| Update Date | 2025-03-25 00:57:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02226377 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H14N2O6S |
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| Molecular Mass | 278.0573 |
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| SMILES | CC(CSC(=N)NC(CC(=O)O)C(=O)O)C(=O)O |
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| InChI Key | IQXXGCPYTSUZKI-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 compoundscarboximidamidescarboxylic acidshydrocarbon derivativesiminesisothioureasorganic oxidesorganopnictogen compoundssulfenyl compoundstricarboxylic acids and derivatives |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidsulfenyl compoundiminetricarboxylic acid or derivativescarboximidamideorganosulfur compoundorganic oxideorganic oxygen compoundaspartic acid or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundisothiourea |
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