| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:55:49 UTC |
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| Update Date | 2025-03-25 00:52:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02191709 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H20N3O3+ |
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| Molecular Mass | 290.1499 |
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| SMILES | CC(=O)NC(CCCC[n+]1c[nH]c2ccccc21)C(=O)O |
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| InChI Key | BLVHDDYORKHNJK-UHFFFAOYSA-O |
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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 | acetamidesalpha amino acidsamino fatty acidsazacyclic compoundsbenzenoidsbenzimidazolescarbonyl compoundscarboxylic acidsheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativesimidazolesmedium-chain fatty acidsmonocarboxylic acids and derivativesn-substituted imidazolesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidheterocyclic fatty acidfatty acidorganic oxidearomatic heteropolycyclic compoundbenzimidazoleimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidorganic cationorganoheterocyclic compoundacetamideazolen-substituted imidazoleazacyclen-acyl-alpha-amino acidheteroaromatic compoundcarboxamide groupamino fatty acidsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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