| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:42 UTC |
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| Update Date | 2025-03-25 00:57:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02225956 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H21N3O3S |
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| Molecular Mass | 251.1304 |
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| SMILES | CC(=O)NCCCNCCCNS(C)(=O)=O |
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| InChI Key | PTIPKXRGYGMBMH-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 | organic sulfonamides |
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| Direct Parent | organic sulfonamides |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acetamidesamino acids and derivativesaminosulfonyl compoundscarbonyl compoundscarboxylic acids and derivativesdialkylamineshydrocarbon derivativesorganic oxidesorganopnictogen compoundsorganosulfonamidessecondary carboxylic acid amides |
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| Substituents | aliphatic acyclic compoundorganosulfonic acid or derivativescarbonyl groupamino acid or derivativesorganosulfur compoundcarboxylic acid derivativeorganosulfonic acid amideorganic oxideorganonitrogen compoundorganopnictogen compoundacetamidesecondary aliphatic amineaminosulfonyl compoundsecondary aminecarboxamide groupsecondary carboxylic acid amidesulfonylorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganic sulfonic acid amideorganooxygen compoundamine |
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