| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:43 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 | DMID02152798 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H23N5O3 |
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| Molecular Mass | 321.1801 |
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| SMILES | N=C(NCCCCN)NC(CC(=O)c1ccccc1N)C(=O)O |
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| InChI Key | JDRGZVLOESAZHB-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | alkyl-phenylketones |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsaryl alkyl ketonesbenzoyl derivativesbutyrophenonescarboximidamidescarboxylic acidsgamma-keto acids and derivativesguanidineshydrocarbon derivativesiminesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsvinylogous amides |
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| Substituents | monocyclic benzene moietycarboxylic acidaryl alkyl ketoneamino acid or derivativesamino acidguanidineiminebenzoylalpha-amino acid or derivativescarboxylic acid derivativeorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundvinylogous amidecarboximidamidegamma-keto acidbutyrophenonearomatic homomonocyclic compoundmonocarboxylic acid or derivativesketo acidhydrocarbon derivativebenzenoidprimary aliphatic amineprimary amineorganic nitrogen compoundaminealkyl-phenylketone |
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