| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:29 UTC |
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| Update Date | 2025-03-25 00:45:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152250 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H15NO6S |
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| Molecular Mass | 265.062 |
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| SMILES | NC(CSC(O)CC(=O)CCC(=O)O)C(=O)O |
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| InChI Key | FLQATYGYHUKBIF-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 | cysteine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidsbeta-hydroxy ketonescarboxylic acidsdicarboxylic acids and derivativesgamma-keto acids and derivativeshydrocarbon derivativesmedium-chain keto acids and derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compounds |
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| Substituents | beta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidsulfenyl compoundorganosulfur compoundgamma-keto acidketoneorganic oxideorganic oxygen compoundketo acidcysteine or derivativesorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundmedium-chain keto acid |
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