| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:28 UTC |
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| Update Date | 2025-03-25 00:50:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179573 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H13NO4S3 |
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| Molecular Mass | 271.0007 |
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| SMILES | CS(=O)CCCCNC(=C=S)S(=O)(=O)O |
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| InChI Key | IKEKOVVLXKSUKD-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 | organic sulfonic acids and derivatives |
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| Subclass | organosulfonic acids and derivatives |
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| Direct Parent | organosulfonic acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | dialkylamineshydrocarbon derivativesorganic oxidesorganopnictogen compoundssulfinyl compoundssulfonylssulfoxides |
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| Substituents | aliphatic acyclic compoundsecondary aliphatic amineorganosulfonic acidsecondary amineorganosulfur compoundorganic oxidesulfonylorganic oxygen compoundsulfinyl compoundorganonitrogen compoundsulfoxideorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundamine |
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