| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:44 UTC |
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| Update Date | 2025-03-21 18:40:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00131225 |
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| Frequency | 19.3 |
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| Structure | |
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| Chemical Formula | C14H21N5O3 |
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| Molecular Mass | 307.1644 |
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| SMILES | NC(CCCNc1nc2cccn(CCCO)c-2n1)C(=O)O |
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| InChI Key | RHVWAWVGAUTFAC-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-halopyridinesalcohols and polyolsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesimidazolesimidazopyridinesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspolyhalopyridinessecondary alkylarylamines |
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| Substituents | carbonyl groupcarboxylic acidamino acidpolyhalopyridineimidazopyridineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compound2-halopyridineorganoheterocyclic compoundazolealcoholazacycleheteroaromatic compoundhydroxypyridinesecondary aminesecondary aliphatic/aromatic aminemonocarboxylic acid or derivativespyridineorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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