| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:44 UTC |
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| Update Date | 2025-03-25 00:46:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152860 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H19FN4O2 |
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| Molecular Mass | 282.1492 |
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| SMILES | N=C(NCCCCC(N)C(=O)O)Nc1ccc(F)cc1 |
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| InChI Key | ZXLJODBXTPDJBK-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 homomonocyclic compounds |
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| Alternative Parents | aryl fluoridescarbocyclic fatty acidscarbonyl compoundscarboximidamidescarboxylic acidsfluorobenzenesguanidineshalogenated fatty acidshydrocarbon derivativesiminesmedium-chain fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganopnictogen compounds |
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| Substituents | aryl fluoridefatty acylcarbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acidguanidineiminefatty acidorganohalogen compoundfluorobenzeneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidhalogenated fatty acidorganofluoridecarboximidamidearyl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundhalobenzeneorganooxygen compound |
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