| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:07:52 UTC |
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| Update Date | 2025-03-21 18:30:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00081102 |
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| Frequency | 35.8 |
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| Structure | |
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| Chemical Formula | C17H30N5O5+ |
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| Molecular Mass | 384.2241 |
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| SMILES | NC(N)CCCC[n+]1cc(O)c(CC(N)C(=O)O)c(CCC(N)C(=O)O)c1 |
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| InChI Key | JAABRWOBNPZMKT-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 | aminalsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkylaminesorganic cationsorganic oxidesorganopnictogen compoundspolyhalopyridines |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundazacyclepolyhalopyridineheteroaromatic compoundhydroxypyridineaminalorganic oxidepyridineorganic oxygen compoundorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganic cationorganoheterocyclic compoundorganooxygen compound |
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