| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:12:18 UTC |
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| Update Date | 2025-03-21 18:32:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00091498 |
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| Frequency | 30.7 |
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| Structure | |
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| Chemical Formula | C16H26N3O7+ |
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| Molecular Mass | 372.1765 |
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| SMILES | CC(O)C(O)C[n+]1cc(O)c(CC(N)C(=O)O)c(CCC(N)C(=O)O)c1 |
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| InChI Key | BVXKACYNHJYGSC-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 | 1,2-diolsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesmonoalkylaminesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinessecondary alcohols |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpolyhalopyridineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationorganoheterocyclic compound1,2-diolalcoholazacycleheteroaromatic compoundhydroxypyridinemethylpyridinepyridineorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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