| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:13:59 UTC |
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| Update Date | 2025-03-21 18:33:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00095571 |
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| Frequency | 34.4 |
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| Structure | |
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| Chemical Formula | C18H25N3O3 |
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| Molecular Mass | 331.1896 |
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| SMILES | CC(C)CCC(NC(=O)C(N)Cc1c[nH]c2ccccc12)C(=O)O |
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| InChI Key | OPTIBBAUUVYARY-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 fatty acidsazacyclic compoundsbenzenoidsbranched fatty acidscarbonyl compoundscarboxylic acidsfatty amidesheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativesindolesmedium-chain fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary carboxylic acid amides |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidheterocyclic fatty acidindolefatty amidefatty acidalpha-amino acid or derivativesorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesalpha-amino acid amideazacyclen-acyl-alpha-amino acidheteroaromatic compoundindole or derivativescarboxamide groupamino fatty acidbranched fatty acidalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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