| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:13:38 UTC |
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| Update Date | 2025-03-21 18:33:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00094702 |
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| Frequency | 29.3 |
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| Structure | |
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| Chemical Formula | C8H13NO6S |
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| Molecular Mass | 251.0464 |
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| SMILES | NC(CCSCC(=O)C(O)C(=O)O)C(=O)O |
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| InChI Key | RSWJURKWHLJDSS-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 | 1,3-dicarbonyl compoundsacyloinsalpha hydroxy acids and derivativesalpha-hydroxy ketonesbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsdialkylthioethersdicarboxylic acids and derivativesfatty acylshydrocarbon derivativeshydroxy fatty acidsmonoalkylaminesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholsshort-chain keto acids and derivativessulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidalpha-hydroxy acidmonosaccharideshort-chain keto acidorganosulfur compoundalpha-hydroxy ketonebeta-keto acidketonesaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidalcoholsulfenyl compounddialkylthioetherhydroxy acidthia fatty acidorganic oxygen compoundthioetherketo acidacyloinsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compound1,3-dicarbonyl compoundorganooxygen compound |
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