| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:32 UTC |
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| Update Date | 2025-03-25 00:45:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152353 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H25N3O3 |
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| Molecular Mass | 319.1896 |
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| SMILES | NC(CCCCNCC(=O)N1CCc2ccccc2C1)C(=O)O |
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| InChI Key | NTBBQDJDKFLNLC-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 heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsamino fatty acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdialkylaminesheterocyclic fatty acidshydrocarbon derivativesmedium-chain fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundstertiary carboxylic acid amidestetrahydroisoquinolines |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidamino acidheterocyclic fatty acidfatty acidorganic oxidearomatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundtetrahydroisoquinolinealpha-amino acidorganopnictogen compoundmedium-chain fatty acidorganoheterocyclic compoundsecondary aliphatic aminealpha-amino acid amideazacyclesecondary aminecarboxamide groupamino fatty acidmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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