| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:33 UTC |
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| Update Date | 2025-03-25 00:45:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152425 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H19N3O8S |
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| Molecular Mass | 413.0893 |
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| SMILES | NC(CCSCC(N=CC=C1C=C(C(=O)O)NC(C(=O)O)=C1)C(=O)O)C(=O)O |
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| InChI Key | IZYQNMXNHRTXOV-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 | tetracarboxylic acids and derivatives |
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| Direct Parent | tetracarboxylic acids and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | aldiminesalpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidscysteine and derivativesdialkylaminesdialkylthioethersdihydropyridinesfatty acylshydrocarbon derivativesmonoalkylaminesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidamino acid or derivativesamino acidiminealpha-amino acid or derivativesorganosulfur compoundpropargyl-type 1,3-dipolar organic compoundaldimineorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compounddihydropyridineorganoheterocyclic compoundsecondary aliphatic aminesulfenyl compoundazacycledialkylthioethertetracarboxylic acid or derivativesorganic 1,3-dipolar compoundsecondary aminethia fatty acidorganic oxygen compoundthioethercysteine or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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