| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:27 UTC |
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| Update Date | 2025-03-25 00:56:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02218582 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H17N3O2 |
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| Molecular Mass | 223.1321 |
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| SMILES | Cc1ccc(CCCC(N)C(=O)O)c(N)n1 |
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| InChI Key | IKBIAKZYLFFVMK-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 heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesamino acidsamino fatty acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxypyridinesimidolactamsmedium-chain fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspolyhalopyridines |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidheterocyclic fatty acidpolyhalopyridinefatty acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acid2-halopyridineimidolactamorganoheterocyclic compoundazacycleheteroaromatic compoundhydroxypyridineamino fatty acidmonocarboxylic acid or derivativespyridineorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineprimary amineorganic nitrogen compoundamineorganooxygen compound |
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