| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:10 UTC |
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| Update Date | 2025-03-25 00:50:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181207 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H14O6S |
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| Molecular Mass | 250.0511 |
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| SMILES | O=C(O)CC(O)CCSCCC(=O)C(=O)O |
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| InChI Key | SCCIVBWDWBIGBJ-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 | short-chain keto acids and derivatives |
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| Direct Parent | short-chain keto acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha-hydroxy ketonesalpha-keto acids and derivativesbeta hydroxy acids and derivativescarboxylic acidsdialkylthioethersdicarboxylic acids and derivativesfatty acylshydrocarbon derivativeshydroxy fatty acidsorganic oxidessecondary alcoholssulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain keto acidorganosulfur compoundalpha-hydroxy ketonecarboxylic acid derivativeketonebeta-hydroxy acidorganic oxidealpha-keto acidhydroxy fatty acidalcoholsulfenyl compounddialkylthioetherhydroxy acidthia fatty acidorganic oxygen compoundthioethersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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