Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-20 23:50:27 UTC |
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Update Date | 2025-03-21 18:02:40 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00039604 |
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Frequency | 87.7 |
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Structure | |
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Chemical Formula | C6H12O4S |
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Molecular Mass | 180.0456 |
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SMILES | O=C(O)CCC(O)C(O)CS |
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InChI Key | MCINDACNIPUMTH-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 | hydroxy acids and derivatives |
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Subclass | medium-chain hydroxy acids and derivatives |
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Direct Parent | medium-chain hydroxy acids and derivatives |
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Geometric Descriptor | aliphatic acyclic compounds |
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Alternative Parents | 1,2-diolsalkylthiolscarbonyl compoundscarboxylic acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganosulfur compoundssecondary alcohols |
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Substituents | alcoholfatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty acidorganosulfur compoundcarboxylic acid derivativemedium-chain hydroxy acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativemedium-chain fatty acidhydroxy fatty acidalkylthiolorganooxygen compound1,2-diol |
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