| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:10 UTC |
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| Update Date | 2025-03-25 00:56:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02217931 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H13NO3S2 |
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| Molecular Mass | 247.0337 |
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| SMILES | C=CCSC(=S)NCCCC(=O)C(=O)O |
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| InChI Key | VPBUTJNKDIRDJP-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 | allyl sulfur compoundsalpha-hydroxy ketonesalpha-keto acids and derivativescarboxylic acidsdithiocarbamic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidsulfenyl compoundallyl sulfur compoundshort-chain keto acidorganosulfur compoundalpha-hydroxy ketonecarboxylic acid derivativeketonedithiocarbamic acid esterorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundalpha-keto acidorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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