| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:00:36 UTC |
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| Update Date | 2025-03-21 18:06:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00063580 |
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| Frequency | 48.5 |
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| Structure | |
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| Chemical Formula | C7H14O3S |
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| Molecular Mass | 178.0664 |
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| SMILES | O=C(O)CCCCC(O)CS |
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| InChI Key | BEEBRPDFCIVDFA-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 | alkylthiolscarbonyl compoundscarboxylic acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganosulfur compoundssecondary alcoholsthia fatty acids |
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| Substituents | alcoholfatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty acidorganosulfur compoundcarboxylic acid derivativemedium-chain hydroxy acidorganic oxidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundsecondary alcoholhydrocarbon derivativemedium-chain fatty acidhydroxy fatty acidalkylthiolorganooxygen compound |
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