| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:11:12 UTC |
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| Update Date | 2025-03-25 00:57:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02227070 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H15NO3S |
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| Molecular Mass | 205.0773 |
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| SMILES | CC(CC(=O)CC(=O)O)SCCN |
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| InChI Key | HWSNFZMALZHNAL-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 | beta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsdialkylthioethersfatty acylshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidorganosulfur compoundcarboxylic acid derivativebeta-keto acidketoneorganic oxideorganonitrogen compoundorganopnictogen compoundsulfenyl compounddialkylthioethermonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioetherhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundmedium-chain keto acid |
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