| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:06 UTC |
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| Update Date | 2025-03-25 00:46:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02158239 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H10O7S |
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| Molecular Mass | 250.0147 |
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| SMILES | O=C(O)CSC(CC(=O)CC(=O)O)C(=O)O |
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| InChI Key | AUAOEBVRHLAXOL-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 | tricarboxylic acids and derivatives |
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| Direct Parent | tricarboxylic acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | beta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsdialkylthioethersfatty acylsgamma-keto acids and derivativeshydrocarbon derivativesorganic oxidessulfenyl compoundsthia fatty acidsthiodiacetic acid derivatives |
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| Substituents | fatty acylbeta-hydroxy ketonealiphatic acyclic compoundthiodiacetic_acidcarbonyl groupcarboxylic acidsulfenyl compounddialkylthioethertricarboxylic acid or derivativesorganosulfur compoundbeta-keto acidgamma-keto acidketoneorganic oxidethia fatty acidorganic oxygen compoundthioetherketo acidhydrocarbon derivativeorganooxygen compound |
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