| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:12 UTC |
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| Update Date | 2025-03-25 00:58:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02233752 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C23H40N7O8S2+ |
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| Molecular Mass | 606.2374 |
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| SMILES | NC(CCSCc1c(CCC(N)C(=O)O)cc(CCC(N)C(=O)O)c[n+]1CCCCC(N)C(=O)O)=NS(N)(=O)=O |
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| InChI Key | NEAYSFBFIKSJBL-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 | 2-halopyridinesamidinesazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkylaminesorganic cationsorganic oxidesorganic sulfuric acids and derivativesorganopnictogen compoundspolyhalopyridinessulfenyl compoundstricarboxylic acids and derivatives |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpolyhalopyridinetricarboxylic acid or derivativesamidineorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compound2-halopyridineorganic cationorganoheterocyclic compoundorganic sulfuric acid or derivativessulfenyl compoundazacycledialkylthioetherheteroaromatic compoundhydroxypyridinepyridineorganic oxygen compoundthioetherhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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