| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:41 UTC |
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| Update Date | 2025-03-25 00:47:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02161703 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H23N3O5 |
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| Molecular Mass | 361.1638 |
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| SMILES | NCCCCC(NC(=O)C(Cc1c[nH]c2ccccc12)C(=O)O)C(=O)O |
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| InChI Key | ALPDNDPKLCVYDQ-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,3-dicarbonyl compoundsalpha amino acidsamino fatty acidsazacyclic compoundsbenzenoidsbranched fatty acidscarboxylic acidsdicarboxylic acids and derivativesfatty amidesheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativesindolesmedium-chain fatty acidsmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary carboxylic acid amides |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidheterocyclic fatty acidindolefatty amidefatty acidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidorganoheterocyclic compoundazacyclen-acyl-alpha-amino acidheteroaromatic compoundindole or derivativescarboxamide groupamino fatty acidbranched fatty acidsecondary carboxylic acid amideorganic oxygen compoundpyrroledicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compound1,3-dicarbonyl compoundorganooxygen compound |
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