| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:22:28 UTC |
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| Update Date | 2025-03-21 18:37:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00116299 |
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| Frequency | 22.6 |
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| Structure | |
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| Chemical Formula | C15H21N5O5 |
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| Molecular Mass | 351.1543 |
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| SMILES | NC(CCCNc1nc2cccn(CCC(O)C(=O)O)c-2n1)C(=O)O |
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| InChI Key | VAYCHUNIUSRMPD-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-halopyridinesalpha hydroxy acids and derivativesamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesimidazolesimidazopyridinesmonoalkylaminesmonosaccharidesorganic oxidesorganopnictogen compoundspolyhalopyridinessecondary alcoholssecondary alkylarylamines |
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| Substituents | carbonyl groupcarboxylic acidamino acidpolyhalopyridinealpha-hydroxy acidmonosaccharideimidazopyridinesaccharideorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compound2-halopyridineorganoheterocyclic compoundazolealcoholazacycleheteroaromatic compoundhydroxypyridinehydroxy acidsecondary aminesecondary aliphatic/aromatic aminepyridineorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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