Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:16:02 UTC |
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Update Date | 2025-03-21 18:34:23 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00100570 |
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Frequency | 27.2 |
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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 | CCC(C)CC(NC(=O)C(N)Cc1c[nH]c2ccccc12)C(=O)O |
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InChI Key | YTEFJQWMFPUNKM-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 compoundsbenzenoidscarbonyl compoundscarboxylic acidsfatty amidesheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativesindolesmedium-chain fatty acidsmethyl-branched 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 derivativesmethyl-branched fatty acidalpha-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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