| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:13:40 UTC |
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| Update Date | 2025-03-25 00:58:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02232513 |
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| Frequency | 0.5 |
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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 | CCCC(C(=O)O)C(O)CS |
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| InChI Key | KSNZEDSIQGZQKD-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 | beta hydroxy acids and derivatives |
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| Direct Parent | beta hydroxy acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkylthiolscarbonyl compoundscarboxylic acidshydrocarbon derivativeshydroxy fatty acidsmethyl-branched fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganosulfur compoundssecondary alcoholsshort-chain hydroxy acids and derivativesthia fatty acids |
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| Substituents | alcoholfatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidmethyl-branched fatty acidshort-chain hydroxy acidfatty acidorganosulfur compoundcarboxylic acid derivativebranched fatty acidbeta-hydroxy acidorganic oxidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundsecondary alcoholhydrocarbon derivativehydroxy fatty acidalkylthiolorganooxygen compound |
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