| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:44:16 UTC |
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| Update Date | 2025-03-21 18:00:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00024926 |
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| Frequency | 155.6 |
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| Structure | |
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| Chemical Formula | C7H9NO3S2 |
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| Molecular Mass | 219.0024 |
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| SMILES | C=CCNC(=S)SCC(=O)C(=O)O |
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| InChI Key | BHNFSIABNRWWFU-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 | alpha-keto acids and derivatives |
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| Direct Parent | alpha-keto acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha-hydroxy ketonescarboxylic acidsdithiocarbamic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidsulfenyl compoundorganosulfur 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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