| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:52 UTC |
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| Update Date | 2025-03-25 00:49:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02175887 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H21N5O2 |
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| Molecular Mass | 279.1695 |
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| SMILES | N=C(N)NCCCCC(N)C(=O)Nc1ccc(O)cc1 |
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| InChI Key | PKPTXNIBYWXJPT-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 acid amides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acidsanilidescarbonyl compoundscarboximidamidescarboxylic acids and derivativesfatty amidesguanidineshydrocarbon derivativesiminesmonoalkylaminesn-arylamidesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupguanidineiminefatty amide1-hydroxy-2-unsubstituted benzenoidn-arylamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalpha-amino acid amidecarboximidamidecarboxamide grouparomatic homomonocyclic compoundanilidesecondary carboxylic acid amideorganic oxygen compoundphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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