| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:49:56 UTC |
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| Update Date | 2025-03-21 18:02:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00038431 |
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| Frequency | 91.1 |
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| Structure | |
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| Chemical Formula | C7H9NO3S |
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| Molecular Mass | 187.0303 |
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| SMILES | O=C(O)CCC(=O)C1=NCCS1 |
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| InChI Key | XFWBBKNYTOVCDC-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 | gamma-keto acids and derivatives |
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| Direct Parent | gamma-keto acids and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarboxylic acidsfatty acylsheterocyclic fatty acidshydrocarbon derivativesketonesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundsshort-chain keto acids and derivativesthiazolines |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidmeta-thiazolineazacycleheterocyclic fatty acidshort-chain keto acidorganic 1,3-dipolar compoundcarboxylic acid derivativegamma-keto acidpropargyl-type 1,3-dipolar organic compoundketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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