| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:06 UTC |
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| Update Date | 2025-03-25 00:53:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02199173 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H13NO8S |
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| Molecular Mass | 295.0362 |
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| SMILES | NC(CSCC(=O)C(O)(CC(=O)O)C(=O)O)C(=O)O |
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| InChI Key | HFRQEPRTXPHYGV-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 | acyloinsalpha amino acidsalpha hydroxy acids and derivativesalpha-hydroxy ketonesbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsdialkylthioethersfatty acylsgamma-keto acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compoundstertiary alcoholsthia fatty acidstricarboxylic acids and derivatives |
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| Substituents | fatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidalpha-hydroxy acidtricarboxylic acid or derivativesorganosulfur compoundalpha-hydroxy ketonebeta-keto acidketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidalcoholsulfenyl compounddialkylthioetherhydroxy acidgamma-keto acidtertiary alcoholthia fatty acidorganic oxygen compoundthioetherketo acidcysteine or derivativesacyloinhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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