| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:45 UTC |
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| Update Date | 2025-03-25 00:48:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02168722 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H12O3S |
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| Molecular Mass | 176.0507 |
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| SMILES | CC(C)C(=O)CC(S)C(=O)O |
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| InChI Key | JAQKRPFBZHJUJB-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 | keto acids and derivatives |
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| Subclass | medium-chain keto acids and derivatives |
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| Direct Parent | medium-chain keto acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkylthiolsbranched fatty acidscarboxylic acidsfatty acylsgamma-keto acids and derivativeshydrocarbon derivativesketonesmonocarboxylic acids and derivativesorganic oxidesorganosulfur compoundsthia fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidorganosulfur compoundcarboxylic acid derivativebranched fatty acidgamma-keto acidketoneorganic oxidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundhydrocarbon derivativealkylthiolorganooxygen compoundmedium-chain keto acid |
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