| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:47:12 UTC |
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| Update Date | 2025-03-25 00:49:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02172044 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H26N4O3 |
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| Molecular Mass | 346.2005 |
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| SMILES | CNC(CCCCN)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O |
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| InChI Key | JWNHOFJBASOMKB-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 | dipeptides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsamino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdialkylaminesheteroaromatic compoundshydrocarbon derivativesindolesmonoalkylaminesmonocarboxylic acids and derivativesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundspyrrolessecondary carboxylic acid amides |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidamino acid or derivativesamino acidindolefatty amidealpha-amino acid or derivativesorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundn-acyl-alpha amino acid or derivativessecondary aliphatic aminealpha-amino acid amideazacyclen-acyl-alpha-amino acidheteroaromatic compoundindole or derivativessecondary aminecarboxamide groupn-acyl-aminen-substituted-alpha-amino acidalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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