| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:31 UTC |
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| Update Date | 2025-03-25 00:59:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02238999 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H11N3O3 |
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| Molecular Mass | 209.08 |
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| SMILES | NC(=O)c1cccnc1NCCC(=O)O |
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| InChI Key | IEVITBUMLIESFX-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 | beta amino acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesimidolactamsmonocarboxylic acids and derivativesnicotinamidesorganic oxidesorganopnictogen compoundspolyhalopyridinesprimary carboxylic acid amidespyridinecarboxylic acids and derivativessecondary alkylarylaminesvinylogous amides |
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| Substituents | primary carboxylic acid amidepyridine carboxylic acid or derivativescarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidpolyhalopyridinenicotinamideorganic oxideorganonitrogen compoundorganopnictogen compound2-halopyridineimidolactamorganoheterocyclic compoundvinylogous amideazacycleheteroaromatic compoundhydroxypyridinesecondary aminecarboxamide groupbeta amino acid or derivativessecondary aliphatic/aromatic aminemonocarboxylic acid or derivativespyridineorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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