| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:18 UTC |
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| Update Date | 2025-03-25 00:48:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02165434 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H15NO4S |
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| Molecular Mass | 233.0722 |
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| SMILES | CCC(=O)C(SCCNC(C)=O)C(=O)O |
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| InChI Key | COFRHODELOAANF-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 | 1,3-dicarbonyl compoundsacetamidesbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsdialkylthioethersfatty acylshydrocarbon derivativesmethyl-branched fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain keto acidorganosulfur compoundcarboxylic acid derivativebeta-keto acidketoneorganic oxideorganonitrogen compoundorganopnictogen compoundacetamidemethyl-branched fatty acidsulfenyl compounddialkylthioethercarboxamide groupbranched fatty acidsecondary carboxylic acid amidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compound1,3-dicarbonyl compoundorganooxygen compound |
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