| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:39 UTC |
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| Update Date | 2025-03-21 18:38:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00121545 |
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| Frequency | 21.3 |
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| Structure | |
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| Chemical Formula | C15H23N5O5 |
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| Molecular Mass | 353.1699 |
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| SMILES | NC(CCCNc1nc2cccn(CC(O)C(O)CO)c-2n1)C(=O)O |
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| InChI Key | PZANBONEADSRHG-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 | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesimidazolesimidazopyridinesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspolyhalopyridinesprimary alcoholssecondary alcoholssecondary alkylarylamines |
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| Substituents | carbonyl groupcarboxylic acidamino acidpolyhalopyridineimidazopyridineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compound2-halopyridineprimary alcoholorganoheterocyclic compoundazolealcoholazacycleheteroaromatic compoundhydroxypyridinesecondary aminesecondary aliphatic/aromatic aminemonocarboxylic acid or derivativespyridineorganic oxygen compoundsecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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