| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:54:32 UTC |
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| Update Date | 2025-03-21 18:04:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00049425 |
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| Frequency | 66.7 |
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| Structure | |
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| Chemical Formula | C5H9NO3S |
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| Molecular Mass | 163.0303 |
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| SMILES | NC(=O)CCSCC(=O)O |
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| InChI Key | BRWDIGDJJWKTRH-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 | carboxylic acids and derivatives |
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| Subclass | carboxylic acid derivatives |
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| Direct Parent | primary carboxylic acid amides |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compounds |
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| Substituents | primary carboxylic acid amidealiphatic acyclic compoundcarbonyl groupcarboxylic acidsulfenyl compounddialkylthioetherorganosulfur compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundthioetherorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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