| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:09 UTC |
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| Update Date | 2025-03-25 00:46:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153862 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H31N4O7S+ |
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| Molecular Mass | 459.1908 |
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| SMILES | CS(=O)CC[n+]1cc(CCC(N)C(=O)O)c(CC(N)C(=O)O)c(CCC(N)C(=O)O)c1 |
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| InChI Key | AVTQMPRKUQQKPC-UHFFFAOYSA-O |
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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 | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesmonoalkylaminesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinessulfinyl compoundssulfoxidestricarboxylic acids and derivatives |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpolyhalopyridinetricarboxylic acid or derivativesorganosulfur compoundorganic oxidesulfinyl compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationorganoheterocyclic compoundazacycleheteroaromatic compoundhydroxypyridinemethylpyridinepyridineorganic oxygen compoundsulfoxidehydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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