| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:02:13 UTC |
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| Update Date | 2025-03-21 18:07:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00067426 |
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| Frequency | 45.1 |
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| Structure | |
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| Chemical Formula | C10H17NO5S3 |
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| Molecular Mass | 327.0269 |
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| SMILES | CS(=O)CCCCNC(=S)SCC(C(=O)O)C(=O)O |
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| InChI Key | YAQWCPYDNFPIME-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 | dicarboxylic acids and derivatives |
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| Direct Parent | dicarboxylic acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | 1,3-dicarbonyl compoundscarboxylic acidsdithiocarbamic acid estershydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compoundssulfinyl compoundssulfoxides |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidsulfenyl compoundorganosulfur compounddithiocarbamic acid esterorganic oxideorganic oxygen compoundsulfinyl compoundorganonitrogen compoundsulfoxidedicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compound1,3-dicarbonyl compoundorganooxygen compound |
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