| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:10 UTC |
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| Update Date | 2025-03-25 00:54:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02206201 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C28H45N6O10+ |
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| Molecular Mass | 625.3192 |
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| SMILES | NC(CCc1c[n+](CCCCC(N)C(=O)O)cc(CCC(N)C(=O)O)c1CCCC(N)C(=O)O)=NC(CCC(=O)O)C(=O)O |
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| InChI Key | GECFXWWJBJISJH-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 | pentacarboxylic acids and derivatives |
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| Direct Parent | pentacarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsamidinesazacyclic compoundscarbonyl compoundscarboximidamidescarboxylic acidsglutamic acid and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkylaminesorganic cationsorganic oxidesorganopnictogen compoundspolyhalopyridines |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpolyhalopyridinealpha-amino acid or derivativesamidineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationorganoheterocyclic compoundazacycleheteroaromatic compoundhydroxypyridineglutamic acid or derivativescarboximidamidepentacarboxylic acid or derivativespyridineorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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